{"id":5220,"name":"qcengine","description":"Quantum chemistry program executor and IO standardizer (QCSchema).","url":"https://github.com/molssi/qcengine","last_synced_at":"2025-09-04T18:33:58.328Z","repository":{"id":38752077,"uuid":"123499436","full_name":"MolSSI/QCEngine","owner":"MolSSI","description":"Quantum chemistry program executor and IO standardizer (QCSchema).","archived":false,"fork":false,"pushed_at":"2025-07-31T22:14:41.000Z","size":11904,"stargazers_count":185,"open_issues_count":61,"forks_count":81,"subscribers_count":14,"default_branch":"master","last_synced_at":"2025-09-02T05:48:27.178Z","etag":null,"topics":["chemistry","computational-chemistry","python3","quantum-chemistry","standards"],"latest_commit_sha":null,"homepage":"https://molssi.github.io/QCEngine/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/MolSSI.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.md","contributing":".github/CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":"codemeta.json","zenodo":null}},"created_at":"2018-03-01T22:25:35.000Z","updated_at":"2025-07-31T20:02:16.000Z","dependencies_parsed_at":"2023-12-01T19:29:06.156Z","dependency_job_id":"839eb3be-34b0-4894-94af-af8b51f4da47","html_url":"https://github.com/MolSSI/QCEngine","commit_stats":{"total_commits":1136,"total_committers":54,"mean_commits":"21.037037037037038","dds":0.7323943661971831,"last_synced_commit":"7cad296f02850888c697f9fc8955292c22a10e89"},"previous_names":[],"tags_count":52,"template":false,"template_full_name":null,"purl":"pkg:github/MolSSI/QCEngine","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/sbom","scorecard":{"id":95681,"data":{"date":"2025-08-11","repo":{"name":"github.com/MolSSI/QCEngine","commit":"b3905b4362fb928c12a65920003a34fcfbc69090"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":5.6,"checks":[{"name":"Code-Review","score":7,"reason":"Found 22/29 approved changesets -- score normalized to 7","details":null,"documentation":{"short":"Determines if the project requires human code review before pull requests (aka merge requests) are merged.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#code-review"}},{"name":"Packaging","score":-1,"reason":"packaging workflow not detected","details":["Warn: no GitHub/GitLab publishing workflow detected."],"documentation":{"short":"Determines if the project is published as a package that others can easily download, install, easily update, and uninstall.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#packaging"}},{"name":"Dangerous-Workflow","score":10,"reason":"no dangerous workflow patterns detected","details":null,"documentation":{"short":"Determines if the project's GitHub Action workflows avoid dangerous patterns.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#dangerous-workflow"}},{"name":"Maintained","score":5,"reason":"4 commit(s) and 2 issue activity found in the last 90 days -- score normalized to 5","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"name":"Binary-Artifacts","score":10,"reason":"no binaries found in the repo","details":null,"documentation":{"short":"Determines if the project has generated executable (binary) artifacts in the source repository.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#binary-artifacts"}},{"name":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Info: jobLevel 'actions' permission set to 'read': .github/workflows/codeql.yml:16","Info: jobLevel 'contents' permission set to 'read': .github/workflows/codeql.yml:17","Warn: no topLevel permission defined: .github/workflows/CI.yml:1","Warn: no topLevel permission defined: .github/workflows/Lint.yml:1","Warn: no topLevel permission defined: .github/workflows/codeql.yml:1","Info: no jobLevel write permissions found"],"documentation":{"short":"Determines if the project's workflows follow the principle of least privilege.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#token-permissions"}},{"name":"CII-Best-Practices","score":0,"reason":"no effort to earn an OpenSSF best practices badge detected","details":null,"documentation":{"short":"Determines if the project has an OpenSSF (formerly CII) Best Practices Badge.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#cii-best-practices"}},{"name":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/CI.yml:129: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:134: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:223: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/CI.yml:243: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:246: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:267: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/Lint.yml:19: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/Lint.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/Lint.yml:22: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/Lint.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:27: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:30: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:36: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:39: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/Lint.yml:29","Warn: pipCommand not pinned by hash: .github/workflows/Lint.yml:30","Info:   0 out of   8 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   4 third-party GitHubAction dependencies pinned","Info:   0 out of   2 pipCommand dependencies pinned"],"documentation":{"short":"Determines if the project has declared and pinned the dependencies of its build process.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#pinned-dependencies"}},{"name":"Vulnerabilities","score":10,"reason":"0 existing vulnerabilities detected","details":null,"documentation":{"short":"Determines if the project has open, known unfixed vulnerabilities.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#vulnerabilities"}},{"name":"Security-Policy","score":0,"reason":"security policy file not detected","details":["Warn: no security policy file detected","Warn: no security file to analyze","Warn: no security file to analyze","Warn: no security file to analyze"],"documentation":{"short":"Determines if the project has published a security policy.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#security-policy"}},{"name":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: BSD 3-Clause \"New\" or \"Revised\" License: LICENSE:0"],"documentation":{"short":"Determines if the project has defined a license.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#license"}},{"name":"Fuzzing","score":0,"reason":"project is not fuzzed","details":["Warn: no fuzzer integrations found"],"documentation":{"short":"Determines if the project uses fuzzing.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#fuzzing"}},{"name":"Signed-Releases","score":-1,"reason":"no releases found","details":null,"documentation":{"short":"Determines if the project cryptographically signs release artifacts.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#signed-releases"}},{"name":"Branch-Protection","score":-1,"reason":"internal error: error during branchesHandler.setup: internal error: githubv4.Query: Resource not accessible by integration","details":null,"documentation":{"short":"Determines if the default and release branches are protected with GitHub's branch protection settings.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#branch-protection"}},{"name":"SAST","score":8,"reason":"SAST tool detected but not run on all commits","details":["Info: SAST configuration detected: CodeQL","Warn: 12 commits out of 30 are checked with a SAST tool"],"documentation":{"short":"Determines if the project uses static code analysis.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#sast"}}]},"last_synced_at":"2025-08-15T08:58:28.168Z","repository_id":38752077,"created_at":"2025-08-15T08:58:28.168Z","updated_at":"2025-08-15T08:58:28.168Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273654076,"owners_count":25144607,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-09-04T02:00:08.968Z","response_time":61,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"owner":{"login":"MolSSI","name":"The Molecular Science Software Institute","uuid":"26232579","kind":"organization","description":"A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI]","email":"info@molssi.org","website":"http://molssi.org","location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/26232579?v=4","repositories_count":37,"last_synced_at":"2023-02-26T11:55:12.385Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/MolSSI","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-09T23:25:15.056Z","updated_at":"2023-02-26T11:55:12.392Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI/repositories"},"packages":[{"id":2893265,"name":"qcengine","ecosystem":"pypi","description":"A compute wrapper for Quantum Chemistry.","homepage":"https://github.com/MolSSI/QCEngine","licenses":"BSD-3C","normalized_licenses":["BSD-1-Clause"],"repository_url":"https://github.com/MolSSI/QCEngine","keywords_array":[],"namespace":null,"versions_count":44,"first_release_published_at":"2018-06-21T14:35:57.000Z","latest_release_published_at":"2025-07-31T22:18:56.000Z","latest_release_number":"0.33.0","last_synced_at":"2025-09-02T05:33:05.866Z","created_at":"2022-04-10T12:23:42.249Z","updated_at":"2025-09-02T05:58:30.346Z","registry_url":"https://pypi.org/project/qcengine/","install_command":"pip install qcengine --index-url https://pypi.org/simple","documentation_url":"https://qcengine.readthedocs.io/","metadata":{"funding":null,"documentation":null,"classifiers":["Development Status :: 4 - Beta","Intended Audience :: Science/Research","Programming Language :: Python :: 3","Programming Language :: Python :: 3 :: Only","Programming Language :: Python :: 3.10","Programming Language :: Python :: 3.11","Programming Language :: Python :: 3.12","Programming Language :: Python :: 3.13","Programming Language :: Python :: 3.7","Programming Language :: Python :: 3.8","Programming Language :: Python :: 3.9"],"normalized_name":"qcengine","project_status":null},"repo_metadata":{"id":38752077,"uuid":"123499436","full_name":"MolSSI/QCEngine","owner":"MolSSI","description":"Quantum chemistry program executor and IO standardizer (QCSchema).","archived":false,"fork":false,"pushed_at":"2025-07-30T20:30:02.000Z","size":11674,"stargazers_count":186,"open_issues_count":61,"forks_count":81,"subscribers_count":14,"default_branch":"master","last_synced_at":"2025-07-30T20:36:03.215Z","etag":null,"topics":["chemistry","computational-chemistry","python3","quantum-chemistry","standards"],"latest_commit_sha":null,"homepage":"https://molssi.github.io/QCEngine/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/MolSSI.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.md","contributing":".github/CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":"codemeta.json","zenodo":null}},"created_at":"2018-03-01T22:25:35.000Z","updated_at":"2025-07-30T20:30:03.000Z","dependencies_parsed_at":"2023-12-01T19:29:06.156Z","dependency_job_id":"839eb3be-34b0-4894-94af-af8b51f4da47","html_url":"https://github.com/MolSSI/QCEngine","commit_stats":{"total_commits":1136,"total_committers":54,"mean_commits":"21.037037037037038","dds":0.7323943661971831,"last_synced_commit":"7cad296f02850888c697f9fc8955292c22a10e89"},"previous_names":[],"tags_count":52,"template":false,"template_full_name":null,"purl":"pkg:github/MolSSI/QCEngine","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/sbom","scorecard":{"id":95681,"data":{"date":"2025-08-11","repo":{"name":"github.com/MolSSI/QCEngine","commit":"b3905b4362fb928c12a65920003a34fcfbc69090"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":5.6,"checks":[{"name":"Code-Review","score":7,"reason":"Found 22/29 approved changesets -- score normalized to 7","details":null,"documentation":{"short":"Determines if the project requires human code review before pull requests (aka merge requests) are merged.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#code-review"}},{"name":"Packaging","score":-1,"reason":"packaging workflow not detected","details":["Warn: no GitHub/GitLab publishing workflow detected."],"documentation":{"short":"Determines if the project is published as a package that others can easily download, install, easily update, and uninstall.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#packaging"}},{"name":"Dangerous-Workflow","score":10,"reason":"no dangerous workflow patterns detected","details":null,"documentation":{"short":"Determines if the project's GitHub Action workflows avoid dangerous patterns.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#dangerous-workflow"}},{"name":"Maintained","score":5,"reason":"4 commit(s) and 2 issue activity found in the last 90 days -- score normalized to 5","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"name":"Binary-Artifacts","score":10,"reason":"no binaries found in the repo","details":null,"documentation":{"short":"Determines if the project has generated executable (binary) artifacts in the source repository.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#binary-artifacts"}},{"name":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Info: jobLevel 'actions' permission set to 'read': .github/workflows/codeql.yml:16","Info: jobLevel 'contents' permission set to 'read': .github/workflows/codeql.yml:17","Warn: no topLevel permission defined: .github/workflows/CI.yml:1","Warn: no topLevel permission defined: .github/workflows/Lint.yml:1","Warn: no topLevel permission defined: .github/workflows/codeql.yml:1","Info: no jobLevel write permissions found"],"documentation":{"short":"Determines if the project's workflows follow the principle of least privilege.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#token-permissions"}},{"name":"CII-Best-Practices","score":0,"reason":"no effort to earn an OpenSSF best practices badge detected","details":null,"documentation":{"short":"Determines if the project has an OpenSSF (formerly CII) Best Practices Badge.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#cii-best-practices"}},{"name":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/CI.yml:129: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:134: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:223: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/CI.yml:243: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:246: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:267: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/Lint.yml:19: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/Lint.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/Lint.yml:22: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/Lint.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:27: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:30: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:36: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:39: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/Lint.yml:29","Warn: pipCommand not pinned by hash: .github/workflows/Lint.yml:30","Info:   0 out of   8 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   4 third-party GitHubAction dependencies pinned","Info:   0 out of   2 pipCommand dependencies pinned"],"documentation":{"short":"Determines if the project has declared and pinned the dependencies of its build process.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#pinned-dependencies"}},{"name":"Vulnerabilities","score":10,"reason":"0 existing vulnerabilities detected","details":null,"documentation":{"short":"Determines if the project has open, known unfixed vulnerabilities.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#vulnerabilities"}},{"name":"Security-Policy","score":0,"reason":"security policy file not detected","details":["Warn: no security policy file detected","Warn: no security file to analyze","Warn: no security file to analyze","Warn: no security file to analyze"],"documentation":{"short":"Determines if the project has published a security policy.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#security-policy"}},{"name":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: BSD 3-Clause \"New\" or \"Revised\" License: LICENSE:0"],"documentation":{"short":"Determines if the project has defined a license.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#license"}},{"name":"Fuzzing","score":0,"reason":"project is not fuzzed","details":["Warn: no fuzzer integrations found"],"documentation":{"short":"Determines if the project uses fuzzing.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#fuzzing"}},{"name":"Signed-Releases","score":-1,"reason":"no releases found","details":null,"documentation":{"short":"Determines if the project cryptographically signs release artifacts.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#signed-releases"}},{"name":"Branch-Protection","score":-1,"reason":"internal error: error during branchesHandler.setup: internal error: githubv4.Query: Resource not accessible by integration","details":null,"documentation":{"short":"Determines if the default and release branches are protected with GitHub's branch protection settings.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#branch-protection"}},{"name":"SAST","score":8,"reason":"SAST tool detected but not run on all commits","details":["Info: SAST configuration detected: CodeQL","Warn: 12 commits out of 30 are checked with a SAST tool"],"documentation":{"short":"Determines if the project uses static code analysis.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#sast"}}]},"last_synced_at":"2025-08-15T08:58:28.168Z","repository_id":38752077,"created_at":"2025-08-15T08:58:28.168Z","updated_at":"2025-08-15T08:58:28.168Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273237690,"owners_count":25069745,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-09-02T02:00:09.530Z","response_time":77,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"},"owner_record":{"login":"MolSSI","name":"The Molecular Science Software Institute","uuid":"26232579","kind":"organization","description":"A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI]","email":"info@molssi.org","website":"http://molssi.org","location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/26232579?v=4","repositories_count":37,"last_synced_at":"2023-02-26T11:55:12.385Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/MolSSI","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-09T23:25:15.056Z","updated_at":"2023-02-26T11:55:12.392Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI/repositories"},"tags":[{"name":"v0.33.0","sha":"b3905b4362fb928c12a65920003a34fcfbc69090","kind":"tag","published_at":"2025-07-31T22:14:11.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.33.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.33.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.33.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.33.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.33.0/manifests"},{"name":"v0.32.0","sha":"0d70bdfdabf0d5fcc8387446a60295ba26fece4c","kind":"tag","published_at":"2025-05-03T07:04:28.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.32.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.32.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.32.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.32.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.32.0/manifests"},{"name":"v0.50a1","sha":"7fccecd5e59296d8901cbd0f2f8ff53a2400ffb2","kind":"tag","published_at":"2025-01-21T15:04:54.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.50a1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.50a1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.50a1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.50a1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.50a1/manifests"},{"name":"v0.31.0","sha":"78b4e5e19ebfefdcaa7f5a67a60ed5f166f26059","kind":"tag","published_at":"2025-01-17T15:32:07.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.31.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.31.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.31.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.31.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.31.0/manifests"},{"name":"v0.30.0","sha":"3b9ed2aee662424df6be12d9e7e23f51b9c6b6eb","kind":"tag","published_at":"2024-06-25T21:22:07.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.30.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.30.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.30.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.30.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.30.0/manifests"},{"name":"v0.29.0","sha":"7cad296f02850888c697f9fc8955292c22a10e89","kind":"tag","published_at":"2023-10-31T19:13:39.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.29.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.29.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.29.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.29.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.29.0/manifests"},{"name":"v0.28.1","sha":"cbec059bb52162c3db7a747d680871749d101f41","kind":"tag","published_at":"2023-08-18T21:17:51.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.28.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.28.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.28.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.1/manifests"},{"name":"v0.28.0","sha":"1a36ef7ccaead07a6f46daa924df194293061b2a","kind":"tag","published_at":"2023-08-15T18:18:00.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.28.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.28.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.28.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0/manifests"},{"name":"v0.28.0.dev3","sha":"8c9f0ab6e498a0c658372c6a8265841e6ad628ef","kind":"tag","published_at":"2023-08-10T15:21:17.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.28.0.dev3","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.28.0.dev3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.28.0.dev3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0.dev3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0.dev3/manifests"},{"name":"v0.27.0","sha":"1822ea4417442c4648f452be14fefb8630c9b79d","kind":"tag","published_at":"2023-08-02T15:34:16.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.27.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.27.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.27.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.27.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.27.0/manifests"},{"name":"v0.26.0","sha":"c68b54709b7a4c11a644cb4f8e56c606944617d9","kind":"tag","published_at":"2022-11-30T17:23:14.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.26.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.26.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.26.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.26.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.26.0/manifests"},{"name":"v0.25.0","sha":"737ba765f7fde1959434dcf91c437152d478a092","kind":"tag","published_at":"2022-11-11T21:40:17.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.25.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.25.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.25.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.25.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.25.0/manifests"},{"name":"v0.24.1","sha":"2793f5853eccb591741973351f009ea1ecb04ac9","kind":"tag","published_at":"2022-08-16T21:45:25.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.24.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.24.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.24.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.1/manifests"},{"name":"v0.24.0","sha":"0d8330408f485cca9084e2f7c50ca1c9720c1293","kind":"tag","published_at":"2022-07-08T18:57:18.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.24.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.24.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.24.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.0/manifests"},{"name":"v0.23.0","sha":"f9e161f33ec4eab9544ff2c060125a4037b83ff2","kind":"tag","published_at":"2022-03-14T21:59:00.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.23.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.23.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.23.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.23.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.23.0/manifests"},{"name":"v0.22.0","sha":"b6aca8f884ecd2d905b13685cc49028b9e4a3230","kind":"tag","published_at":"2022-01-25T16:45:47.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.22.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.22.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.22.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.22.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.22.0/manifests"},{"name":"v0.21.0","sha":"cca931694e50094736d44a957f513fa22588c49a","kind":"tag","published_at":"2021-11-22T15:30:39.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.21.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.21.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.21.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.21.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.21.0/manifests"},{"name":"v0.20.1","sha":"0612e81a2ce6685866ea40692fa95649b06e2b35","kind":"tag","published_at":"2021-10-08T16:31:59.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.20.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.20.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.20.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.1/manifests"},{"name":"v0.20.0","sha":"78bd7d22a243b2e4673fd96f26d64626a838dfb2","kind":"tag","published_at":"2021-10-01T16:37:22.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.20.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.20.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.20.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.0/manifests"},{"name":"v0.19.0","sha":"cf5fdc50ea9da2e26b0b36965d3b4b5e2c37355a","kind":"tag","published_at":"2021-05-17T02:54:22.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.19.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.19.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.19.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.19.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.19.0/manifests"},{"name":"v0.18.0","sha":"7ac0f546195bcb31bb4f8abf29eacb73f057505d","kind":"tag","published_at":"2021-02-16T22:41:17.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.18.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.18.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.18.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.18.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.18.0/manifests"},{"name":"v0.17.0","sha":"3a05aa8ecbca7bc4bf45890db8c0dde0f05f7449","kind":"tag","published_at":"2020-10-02T23:37:43.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.17.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.17.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.17.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.17.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.17.0/manifests"},{"name":"v0.16.0","sha":"ff693c467285fe55a9069fd4bc42ce90a0d1935e","kind":"tag","published_at":"2020-08-19T23:10:50.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.16.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.16.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.16.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.16.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.16.0/manifests"},{"name":"v0.15.0","sha":"4525eb3ea94557c7f9aed400a02bf98a95ce5c92","kind":"tag","published_at":"2020-06-27T00:55:38.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.15.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.15.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.15.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.15.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.15.0/manifests"},{"name":"0.14.0","sha":"c8ae155267a69af0be2a63034ea9224bbebd9d34","kind":"commit","published_at":"2020-02-05T22:27:43.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.14.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.14.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.14.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.14.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.14.0/manifests"},{"name":"v0.13.0","sha":"30030d593e2b570008d7eecc30d035f8717b6cd2","kind":"commit","published_at":"2019-12-11T18:23:52.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.13.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.13.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.13.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.13.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.13.0/manifests"},{"name":"v0.12.0","sha":"2d1cc422808350668a3bebdfc4c79e24c207ad29","kind":"commit","published_at":"2019-11-14T17:13:19.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.12.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.12.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.12.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.12.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.12.0/manifests"},{"name":"v0.11.0","sha":"327549b6d4399677f11b533cae6057d74ab01005","kind":"tag","published_at":"2019-10-01T15:35:12.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.11.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.11.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.11.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.11.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.11.0/manifests"},{"name":"v0.10.0","sha":"8ff164c436347ea458e450b9ff850ff6eb51966e","kind":"commit","published_at":"2019-08-26T14:15:16.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.10.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.10.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.10.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.10.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.10.0/manifests"},{"name":"v0.9.0","sha":"8e45c01ddef766e295f86144a05929ce52f528db","kind":"commit","published_at":"2019-08-14T23:56:52.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.9.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.9.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.9.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.9.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.9.0/manifests"},{"name":"v0.8.2","sha":"629805293dc9eaf3d16e28c35c3ff591d7b1f906","kind":"commit","published_at":"2019-07-25T19:28:21.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.8.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.8.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.8.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.2/manifests"},{"name":"v0.8.1","sha":"47af9d6b31720c68514e7afc7938397ed6b35b48","kind":"commit","published_at":"2019-07-22T13:02:29.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.8.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.8.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.8.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.1/manifests"},{"name":"v0.8.0","sha":"92db58a47ae17710e2aa6b99f5be30402dc5d5a3","kind":"commit","published_at":"2019-07-19T12:16:25.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.8.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.8.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.8.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.0/manifests"},{"name":"v0.7.1","sha":"225af6f1e65eef2a816f8154e5cfd6be9d4ae84d","kind":"commit","published_at":"2019-06-18T13:33:47.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.7.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.7.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.7.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.1/manifests"},{"name":"v0.7.0","sha":"102b5ba97208a135f728c46ae1bd74abc3592d87","kind":"commit","published_at":"2019-06-18T02:26:13.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.7.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.7.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.7.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.0/manifests"},{"name":"v0.6.4","sha":"ffdab9765f62bacb60ec612d622131112e14f78b","kind":"commit","published_at":"2019-03-21T16:45:42.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.4","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.4/manifests"},{"name":"v0.6.3","sha":"b062a72906486983d7c58272fb31350665a25e96","kind":"commit","published_at":"2019-03-15T19:49:37.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.3","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.3/manifests"},{"name":"v0.6.2","sha":"dcd468b0eda1c4de4906460f08aa33f45618723d","kind":"commit","published_at":"2019-03-07T21:00:42.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.2/manifests"},{"name":"v0.6.1","sha":"0eb5ac75939f13f304c493cd657ae94171f9b016","kind":"commit","published_at":"2019-03-01T14:42:29.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.1/manifests"},{"name":"v0.6.0","sha":"f1587c58e5b0f2601c6273028e5b496d8b015677","kind":"commit","published_at":"2019-02-28T21:24:55.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.0/manifests"},{"name":"v0.5.2","sha":"437f3ca22c9e0506bf4ea02db23c02af4aba1df3","kind":"commit","published_at":"2019-02-19T01:51:10.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.5.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.5.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.5.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.2/manifests"},{"name":"v0.5.1","sha":"af317861f133af1239408cc219619dad9aff918e","kind":"commit","published_at":"2019-01-29T17:31:43.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.5.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.5.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.5.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.1/manifests"},{"name":"v0.5.0","sha":"78cf86199dea6b2a201bec193bda9e0f1f3e943e","kind":"commit","published_at":"2019-01-28T14:46:16.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.5.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.5.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.5.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.0/manifests"},{"name":"v0.4.0","sha":"b6e5508cea9619b474662036eadd6db112047376","kind":"commit","published_at":"2018-10-30T22:23:38.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.4.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.4.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.4.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.4.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.4.0/manifests"},{"name":"v0.3.1","sha":"af1805b07b6d8d2af83281f5e784fa6678a22f12","kind":"commit","published_at":"2018-09-21T20:53:39.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.3.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.3.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.3.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.1/manifests"},{"name":"v0.3.0","sha":"fcb2a9e425f2bc873f3f32072b251de63a6e7edc","kind":"commit","published_at":"2018-08-14T21:05:22.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.3.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.3.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.3.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.0/manifests"},{"name":"0.2.2","sha":"5b179dd4680da02618ea12b8615a644e616069a4","kind":"commit","published_at":"2018-06-30T21:18:10.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.2.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.2.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.2.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.2/manifests"},{"name":"v0.2.1","sha":"0cdad20ca649241e1c33ad22475a4449ceea7788","kind":"commit","published_at":"2018-06-21T14:22:27.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.2.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.2.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.2.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.2.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.2.1/manifests"},{"name":"0.2.0","sha":"e04da22ec4d1659dff327ab8d5d5ba0864549260","kind":"commit","published_at":"2018-06-12T21:03:18.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.2.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.2.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.2.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.0/manifests"},{"name":"0.1.1","sha":"5d1df433abba627c4e6f2f6dc1f3c036357508bb","kind":"commit","published_at":"2018-05-15T18:37:01.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.1.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.1.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.1.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.1/manifests"},{"name":"0.1.0","sha":"cbd67c1b82db20ba9774c658b97a1b7a418c8ab0","kind":"tag","published_at":"2018-05-08T20:09:58.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.1.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.1.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.1.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.0/manifests"},{"name":"0.0.0","sha":"a75129b9ca0971a5a9bc663deecd6b8783007ac8","kind":"commit","published_at":"2018-03-26T21:21:06.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.0.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.0.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.0.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.0.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.0.0/manifests"}]},"repo_metadata_updated_at":"2025-09-02T05:58:30.346Z","dependent_packages_count":7,"downloads":2018,"downloads_period":"last-month","dependent_repos_count":12,"rankings":{"downloads":7.80205082478823,"dependent_repos_count":4.1774785381968655,"dependent_packages_count":1.5880606797318872,"stargazers_count":5.9674702560154875,"forks_count":5.009781455427231,"docker_downloads_count":1.3882883998209643,"average":4.322188358996778},"purl":"pkg:pypi/qcengine","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/pypi/qcengine","docker_dependents_count":4,"docker_downloads_count":1004,"usage_url":"https://repos.ecosyste.ms/usage/pypi/qcengine","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/pypi/qcengine/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2025-08-31T11:08:16.414Z","issues_count":50,"pull_requests_count":138,"avg_time_to_close_issue":12833598.26923077,"avg_time_to_close_pull_request":4902351.316239316,"issues_closed_count":26,"pull_requests_closed_count":117,"pull_request_authors_count":31,"issue_authors_count":23,"avg_comments_per_issue":2.02,"avg_comments_per_pull_request":2.6231884057971016,"merged_pull_requests_count":95,"bot_issues_count":0,"bot_pull_requests_count":1,"past_year_issues_count":5,"past_year_pull_requests_count":38,"past_year_avg_time_to_close_issue":11506017.0,"past_year_avg_time_to_close_pull_request":1968596.9032258065,"past_year_issues_closed_count":1,"past_year_pull_requests_closed_count":31,"past_year_pull_request_authors_count":4,"past_year_issue_authors_count":5,"past_year_avg_comments_per_issue":0.0,"past_year_avg_comments_per_pull_request":1.1052631578947367,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":27,"issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/issues","maintainers":[{"login":"loriab","count":91,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/loriab"},{"login":"WardLT","count":9,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/WardLT"},{"login":"dotsdl","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dotsdl"},{"login":"susilehtola","count":3,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/susilehtola"},{"login":"Lnaden","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Lnaden"},{"login":"anabiman","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/anabiman"},{"login":"bennybp","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/bennybp"}],"active_maintainers":[{"login":"loriab","count":34,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/loriab"},{"login":"susilehtola","count":3,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/susilehtola"}]},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qcengine/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qcengine/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qcengine/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qcengine/related_packages","maintainers":[{"uuid":"dotsdl","login":"dotsdl","name":null,"email":null,"url":null,"packages_count":9,"html_url":"https://pypi.org/user/dotsdl/","role":null,"created_at":"2022-11-27T06:36:20.829Z","updated_at":"2022-11-27T06:36:20.829Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/dotsdl/packages"},{"uuid":"bennybp","login":"bennybp","name":null,"email":null,"url":null,"packages_count":8,"html_url":"https://pypi.org/user/bennybp/","role":null,"created_at":"2022-11-27T06:36:20.808Z","updated_at":"2022-11-27T06:36:20.808Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/bennybp/packages"},{"uuid":"lnaden","login":"lnaden","name":null,"email":null,"url":null,"packages_count":9,"html_url":"https://pypi.org/user/lnaden/","role":null,"created_at":"2022-11-27T06:36:20.833Z","updated_at":"2022-11-27T06:36:20.833Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/lnaden/packages"},{"uuid":"molssi","login":"molssi","name":null,"email":null,"url":null,"packages_count":5,"html_url":"https://pypi.org/user/molssi/","role":null,"created_at":"2022-11-27T06:36:20.825Z","updated_at":"2022-11-27T06:36:20.825Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/molssi/packages"},{"uuid":"loriab","login":"loriab","name":null,"email":null,"url":null,"packages_count":5,"html_url":"https://pypi.org/user/loriab/","role":null,"created_at":"2022-11-27T06:36:20.839Z","updated_at":"2022-11-27T06:36:20.839Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/loriab/packages"}],"registry":{"name":"pypi.org","url":"https://pypi.org","ecosystem":"pypi","default":true,"packages_count":724866,"maintainers_count":308223,"namespaces_count":0,"keywords_count":237984,"github":"pypi","metadata":{"funded_packages_count":50481},"icon_url":"https://github.com/pypi.png","created_at":"2022-04-04T15:19:23.364Z","updated_at":"2025-09-04T05:23:51.177Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages","maintainers_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers","namespaces_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/namespaces"}},{"id":5301498,"name":"qcengine","ecosystem":"conda","description":null,"homepage":"http://github.com/MolSSI/QCEngine","licenses":"BSD-3-Clause","normalized_licenses":["BSD-3-Clause"],"repository_url":"https://github.com/MolSSI/QCEngine","keywords_array":[],"namespace":null,"versions_count":34,"first_release_published_at":"2018-09-05T09:08:16.000Z","latest_release_published_at":"2022-11-12T04:13:39.000Z","latest_release_number":"0.25.0","last_synced_at":"2025-08-27T22:05:07.509Z","created_at":"2022-10-03T16:10:58.736Z","updated_at":"2025-09-02T05:58:30.793Z","registry_url":"https://anaconda.org/conda-forge/qcengine","install_command":"conda install -c conda-forge qcengine","documentation_url":null,"metadata":{},"repo_metadata":{"id":38752077,"uuid":"123499436","full_name":"MolSSI/QCEngine","owner":"MolSSI","description":"Quantum chemistry program executor and IO standardizer (QCSchema).","archived":false,"fork":false,"pushed_at":"2025-07-30T20:30:02.000Z","size":11674,"stargazers_count":186,"open_issues_count":61,"forks_count":81,"subscribers_count":14,"default_branch":"master","last_synced_at":"2025-07-30T20:36:03.215Z","etag":null,"topics":["chemistry","computational-chemistry","python3","quantum-chemistry","standards"],"latest_commit_sha":null,"homepage":"https://molssi.github.io/QCEngine/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/MolSSI.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.md","contributing":".github/CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":"codemeta.json","zenodo":null}},"created_at":"2018-03-01T22:25:35.000Z","updated_at":"2025-07-30T20:30:03.000Z","dependencies_parsed_at":"2023-12-01T19:29:06.156Z","dependency_job_id":"839eb3be-34b0-4894-94af-af8b51f4da47","html_url":"https://github.com/MolSSI/QCEngine","commit_stats":{"total_commits":1136,"total_committers":54,"mean_commits":"21.037037037037038","dds":0.7323943661971831,"last_synced_commit":"7cad296f02850888c697f9fc8955292c22a10e89"},"previous_names":[],"tags_count":52,"template":false,"template_full_name":null,"purl":"pkg:github/MolSSI/QCEngine","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/sbom","scorecard":{"id":95681,"data":{"date":"2025-08-11","repo":{"name":"github.com/MolSSI/QCEngine","commit":"b3905b4362fb928c12a65920003a34fcfbc69090"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":5.6,"checks":[{"name":"Code-Review","score":7,"reason":"Found 22/29 approved changesets -- score normalized to 7","details":null,"documentation":{"short":"Determines if the project requires human code review before pull requests (aka merge requests) are merged.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#code-review"}},{"name":"Packaging","score":-1,"reason":"packaging workflow not detected","details":["Warn: no GitHub/GitLab publishing workflow detected."],"documentation":{"short":"Determines if the project is published as a package that others can easily download, install, easily update, and uninstall.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#packaging"}},{"name":"Dangerous-Workflow","score":10,"reason":"no dangerous workflow patterns detected","details":null,"documentation":{"short":"Determines if the project's GitHub Action workflows avoid dangerous patterns.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#dangerous-workflow"}},{"name":"Maintained","score":5,"reason":"4 commit(s) and 2 issue activity found in the last 90 days -- score normalized to 5","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"name":"Binary-Artifacts","score":10,"reason":"no binaries found in the repo","details":null,"documentation":{"short":"Determines if the project has generated executable (binary) artifacts in the source repository.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#binary-artifacts"}},{"name":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Info: jobLevel 'actions' permission set to 'read': .github/workflows/codeql.yml:16","Info: jobLevel 'contents' permission set to 'read': .github/workflows/codeql.yml:17","Warn: no topLevel permission defined: .github/workflows/CI.yml:1","Warn: no topLevel permission defined: .github/workflows/Lint.yml:1","Warn: no topLevel permission defined: .github/workflows/codeql.yml:1","Info: no jobLevel write permissions found"],"documentation":{"short":"Determines if the project's workflows follow the principle of least privilege.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#token-permissions"}},{"name":"CII-Best-Practices","score":0,"reason":"no effort to earn an OpenSSF best practices badge detected","details":null,"documentation":{"short":"Determines if the project has an OpenSSF (formerly CII) Best Practices Badge.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#cii-best-practices"}},{"name":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/CI.yml:129: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:134: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:223: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/CI.yml:243: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:246: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/CI.yml:267: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/CI.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/Lint.yml:19: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/Lint.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/Lint.yml:22: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/Lint.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:27: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:30: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:36: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/codeql.yml:39: update your workflow using https://app.stepsecurity.io/secureworkflow/MolSSI/QCEngine/codeql.yml/master?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/Lint.yml:29","Warn: pipCommand not pinned by hash: .github/workflows/Lint.yml:30","Info:   0 out of   8 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   4 third-party GitHubAction dependencies pinned","Info:   0 out of   2 pipCommand dependencies pinned"],"documentation":{"short":"Determines if the project has declared and pinned the dependencies of its build process.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#pinned-dependencies"}},{"name":"Vulnerabilities","score":10,"reason":"0 existing vulnerabilities detected","details":null,"documentation":{"short":"Determines if the project has open, known unfixed vulnerabilities.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#vulnerabilities"}},{"name":"Security-Policy","score":0,"reason":"security policy file not detected","details":["Warn: no security policy file detected","Warn: no security file to analyze","Warn: no security file to analyze","Warn: no security file to analyze"],"documentation":{"short":"Determines if the project has published a security policy.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#security-policy"}},{"name":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: BSD 3-Clause \"New\" or \"Revised\" License: LICENSE:0"],"documentation":{"short":"Determines if the project has defined a license.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#license"}},{"name":"Fuzzing","score":0,"reason":"project is not fuzzed","details":["Warn: no fuzzer integrations found"],"documentation":{"short":"Determines if the project uses fuzzing.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#fuzzing"}},{"name":"Signed-Releases","score":-1,"reason":"no releases found","details":null,"documentation":{"short":"Determines if the project cryptographically signs release artifacts.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#signed-releases"}},{"name":"Branch-Protection","score":-1,"reason":"internal error: error during branchesHandler.setup: internal error: githubv4.Query: Resource not accessible by integration","details":null,"documentation":{"short":"Determines if the default and release branches are protected with GitHub's branch protection settings.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#branch-protection"}},{"name":"SAST","score":8,"reason":"SAST tool detected but not run on all commits","details":["Info: SAST configuration detected: CodeQL","Warn: 12 commits out of 30 are checked with a SAST tool"],"documentation":{"short":"Determines if the project uses static code analysis.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#sast"}}]},"last_synced_at":"2025-08-15T08:58:28.168Z","repository_id":38752077,"created_at":"2025-08-15T08:58:28.168Z","updated_at":"2025-08-15T08:58:28.168Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273237690,"owners_count":25069745,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-09-02T02:00:09.530Z","response_time":77,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"},"owner_record":{"login":"MolSSI","name":"The Molecular Science Software Institute","uuid":"26232579","kind":"organization","description":"A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI]","email":"info@molssi.org","website":"http://molssi.org","location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/26232579?v=4","repositories_count":37,"last_synced_at":"2023-02-26T11:55:12.385Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/MolSSI","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-09T23:25:15.056Z","updated_at":"2023-02-26T11:55:12.392Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/MolSSI/repositories"},"tags":[{"name":"v0.33.0","sha":"b3905b4362fb928c12a65920003a34fcfbc69090","kind":"tag","published_at":"2025-07-31T22:14:11.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.33.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.33.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.33.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.33.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.33.0/manifests"},{"name":"v0.32.0","sha":"0d70bdfdabf0d5fcc8387446a60295ba26fece4c","kind":"tag","published_at":"2025-05-03T07:04:28.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.32.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.32.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.32.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.32.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.32.0/manifests"},{"name":"v0.50a1","sha":"7fccecd5e59296d8901cbd0f2f8ff53a2400ffb2","kind":"tag","published_at":"2025-01-21T15:04:54.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.50a1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.50a1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.50a1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.50a1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.50a1/manifests"},{"name":"v0.31.0","sha":"78b4e5e19ebfefdcaa7f5a67a60ed5f166f26059","kind":"tag","published_at":"2025-01-17T15:32:07.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.31.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.31.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.31.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.31.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.31.0/manifests"},{"name":"v0.30.0","sha":"3b9ed2aee662424df6be12d9e7e23f51b9c6b6eb","kind":"tag","published_at":"2024-06-25T21:22:07.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.30.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.30.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.30.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.30.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.30.0/manifests"},{"name":"v0.29.0","sha":"7cad296f02850888c697f9fc8955292c22a10e89","kind":"tag","published_at":"2023-10-31T19:13:39.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.29.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.29.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.29.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.29.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.29.0/manifests"},{"name":"v0.28.1","sha":"cbec059bb52162c3db7a747d680871749d101f41","kind":"tag","published_at":"2023-08-18T21:17:51.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.28.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.28.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.28.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.1/manifests"},{"name":"v0.28.0","sha":"1a36ef7ccaead07a6f46daa924df194293061b2a","kind":"tag","published_at":"2023-08-15T18:18:00.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.28.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.28.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.28.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0/manifests"},{"name":"v0.28.0.dev3","sha":"8c9f0ab6e498a0c658372c6a8265841e6ad628ef","kind":"tag","published_at":"2023-08-10T15:21:17.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.28.0.dev3","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.28.0.dev3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.28.0.dev3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0.dev3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.28.0.dev3/manifests"},{"name":"v0.27.0","sha":"1822ea4417442c4648f452be14fefb8630c9b79d","kind":"tag","published_at":"2023-08-02T15:34:16.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.27.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.27.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.27.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.27.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.27.0/manifests"},{"name":"v0.26.0","sha":"c68b54709b7a4c11a644cb4f8e56c606944617d9","kind":"tag","published_at":"2022-11-30T17:23:14.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.26.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.26.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.26.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.26.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.26.0/manifests"},{"name":"v0.25.0","sha":"737ba765f7fde1959434dcf91c437152d478a092","kind":"tag","published_at":"2022-11-11T21:40:17.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.25.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.25.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.25.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.25.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.25.0/manifests"},{"name":"v0.24.1","sha":"2793f5853eccb591741973351f009ea1ecb04ac9","kind":"tag","published_at":"2022-08-16T21:45:25.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.24.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.24.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.24.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.1/manifests"},{"name":"v0.24.0","sha":"0d8330408f485cca9084e2f7c50ca1c9720c1293","kind":"tag","published_at":"2022-07-08T18:57:18.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.24.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.24.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.24.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.24.0/manifests"},{"name":"v0.23.0","sha":"f9e161f33ec4eab9544ff2c060125a4037b83ff2","kind":"tag","published_at":"2022-03-14T21:59:00.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.23.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.23.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.23.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.23.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.23.0/manifests"},{"name":"v0.22.0","sha":"b6aca8f884ecd2d905b13685cc49028b9e4a3230","kind":"tag","published_at":"2022-01-25T16:45:47.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.22.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.22.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.22.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.22.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.22.0/manifests"},{"name":"v0.21.0","sha":"cca931694e50094736d44a957f513fa22588c49a","kind":"tag","published_at":"2021-11-22T15:30:39.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.21.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.21.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.21.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.21.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.21.0/manifests"},{"name":"v0.20.1","sha":"0612e81a2ce6685866ea40692fa95649b06e2b35","kind":"tag","published_at":"2021-10-08T16:31:59.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.20.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.20.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.20.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.1/manifests"},{"name":"v0.20.0","sha":"78bd7d22a243b2e4673fd96f26d64626a838dfb2","kind":"tag","published_at":"2021-10-01T16:37:22.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.20.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.20.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.20.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.20.0/manifests"},{"name":"v0.19.0","sha":"cf5fdc50ea9da2e26b0b36965d3b4b5e2c37355a","kind":"tag","published_at":"2021-05-17T02:54:22.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.19.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.19.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.19.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.19.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.19.0/manifests"},{"name":"v0.18.0","sha":"7ac0f546195bcb31bb4f8abf29eacb73f057505d","kind":"tag","published_at":"2021-02-16T22:41:17.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.18.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.18.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.18.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.18.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.18.0/manifests"},{"name":"v0.17.0","sha":"3a05aa8ecbca7bc4bf45890db8c0dde0f05f7449","kind":"tag","published_at":"2020-10-02T23:37:43.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.17.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.17.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.17.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.17.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.17.0/manifests"},{"name":"v0.16.0","sha":"ff693c467285fe55a9069fd4bc42ce90a0d1935e","kind":"tag","published_at":"2020-08-19T23:10:50.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.16.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.16.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.16.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.16.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.16.0/manifests"},{"name":"v0.15.0","sha":"4525eb3ea94557c7f9aed400a02bf98a95ce5c92","kind":"tag","published_at":"2020-06-27T00:55:38.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.15.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.15.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.15.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.15.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.15.0/manifests"},{"name":"0.14.0","sha":"c8ae155267a69af0be2a63034ea9224bbebd9d34","kind":"commit","published_at":"2020-02-05T22:27:43.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.14.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.14.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.14.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.14.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.14.0/manifests"},{"name":"v0.13.0","sha":"30030d593e2b570008d7eecc30d035f8717b6cd2","kind":"commit","published_at":"2019-12-11T18:23:52.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.13.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.13.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.13.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.13.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.13.0/manifests"},{"name":"v0.12.0","sha":"2d1cc422808350668a3bebdfc4c79e24c207ad29","kind":"commit","published_at":"2019-11-14T17:13:19.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.12.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.12.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.12.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.12.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.12.0/manifests"},{"name":"v0.11.0","sha":"327549b6d4399677f11b533cae6057d74ab01005","kind":"tag","published_at":"2019-10-01T15:35:12.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.11.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.11.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.11.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.11.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.11.0/manifests"},{"name":"v0.10.0","sha":"8ff164c436347ea458e450b9ff850ff6eb51966e","kind":"commit","published_at":"2019-08-26T14:15:16.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.10.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.10.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.10.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.10.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.10.0/manifests"},{"name":"v0.9.0","sha":"8e45c01ddef766e295f86144a05929ce52f528db","kind":"commit","published_at":"2019-08-14T23:56:52.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.9.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.9.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.9.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.9.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.9.0/manifests"},{"name":"v0.8.2","sha":"629805293dc9eaf3d16e28c35c3ff591d7b1f906","kind":"commit","published_at":"2019-07-25T19:28:21.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.8.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.8.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.8.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.2/manifests"},{"name":"v0.8.1","sha":"47af9d6b31720c68514e7afc7938397ed6b35b48","kind":"commit","published_at":"2019-07-22T13:02:29.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.8.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.8.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.8.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.1/manifests"},{"name":"v0.8.0","sha":"92db58a47ae17710e2aa6b99f5be30402dc5d5a3","kind":"commit","published_at":"2019-07-19T12:16:25.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.8.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.8.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.8.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.8.0/manifests"},{"name":"v0.7.1","sha":"225af6f1e65eef2a816f8154e5cfd6be9d4ae84d","kind":"commit","published_at":"2019-06-18T13:33:47.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.7.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.7.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.7.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.1/manifests"},{"name":"v0.7.0","sha":"102b5ba97208a135f728c46ae1bd74abc3592d87","kind":"commit","published_at":"2019-06-18T02:26:13.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.7.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.7.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.7.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.7.0/manifests"},{"name":"v0.6.4","sha":"ffdab9765f62bacb60ec612d622131112e14f78b","kind":"commit","published_at":"2019-03-21T16:45:42.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.4","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.4/manifests"},{"name":"v0.6.3","sha":"b062a72906486983d7c58272fb31350665a25e96","kind":"commit","published_at":"2019-03-15T19:49:37.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.3","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.3/manifests"},{"name":"v0.6.2","sha":"dcd468b0eda1c4de4906460f08aa33f45618723d","kind":"commit","published_at":"2019-03-07T21:00:42.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.2/manifests"},{"name":"v0.6.1","sha":"0eb5ac75939f13f304c493cd657ae94171f9b016","kind":"commit","published_at":"2019-03-01T14:42:29.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.1/manifests"},{"name":"v0.6.0","sha":"f1587c58e5b0f2601c6273028e5b496d8b015677","kind":"commit","published_at":"2019-02-28T21:24:55.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.6.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.6.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.6.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.6.0/manifests"},{"name":"v0.5.2","sha":"437f3ca22c9e0506bf4ea02db23c02af4aba1df3","kind":"commit","published_at":"2019-02-19T01:51:10.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.5.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.5.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.5.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.2/manifests"},{"name":"v0.5.1","sha":"af317861f133af1239408cc219619dad9aff918e","kind":"commit","published_at":"2019-01-29T17:31:43.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.5.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.5.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.5.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.1/manifests"},{"name":"v0.5.0","sha":"78cf86199dea6b2a201bec193bda9e0f1f3e943e","kind":"commit","published_at":"2019-01-28T14:46:16.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.5.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.5.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.5.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.5.0/manifests"},{"name":"v0.4.0","sha":"b6e5508cea9619b474662036eadd6db112047376","kind":"commit","published_at":"2018-10-30T22:23:38.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.4.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.4.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.4.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.4.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.4.0/manifests"},{"name":"v0.3.1","sha":"af1805b07b6d8d2af83281f5e784fa6678a22f12","kind":"commit","published_at":"2018-09-21T20:53:39.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.3.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.3.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.3.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.1/manifests"},{"name":"v0.3.0","sha":"fcb2a9e425f2bc873f3f32072b251de63a6e7edc","kind":"commit","published_at":"2018-08-14T21:05:22.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.3.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.3.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.3.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.3.0/manifests"},{"name":"0.2.2","sha":"5b179dd4680da02618ea12b8615a644e616069a4","kind":"commit","published_at":"2018-06-30T21:18:10.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.2.2","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.2.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.2.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.2/manifests"},{"name":"v0.2.1","sha":"0cdad20ca649241e1c33ad22475a4449ceea7788","kind":"commit","published_at":"2018-06-21T14:22:27.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/v0.2.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/v0.2.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@v0.2.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.2.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/v0.2.1/manifests"},{"name":"0.2.0","sha":"e04da22ec4d1659dff327ab8d5d5ba0864549260","kind":"commit","published_at":"2018-06-12T21:03:18.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.2.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.2.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.2.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.2.0/manifests"},{"name":"0.1.1","sha":"5d1df433abba627c4e6f2f6dc1f3c036357508bb","kind":"commit","published_at":"2018-05-15T18:37:01.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.1.1","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.1.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.1.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.1/manifests"},{"name":"0.1.0","sha":"cbd67c1b82db20ba9774c658b97a1b7a418c8ab0","kind":"tag","published_at":"2018-05-08T20:09:58.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.1.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.1.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.1.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.1.0/manifests"},{"name":"0.0.0","sha":"a75129b9ca0971a5a9bc663deecd6b8783007ac8","kind":"commit","published_at":"2018-03-26T21:21:06.000Z","download_url":"https://codeload.github.com/MolSSI/QCEngine/tar.gz/0.0.0","html_url":"https://github.com/MolSSI/QCEngine/releases/tag/0.0.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/MolSSI/QCEngine@0.0.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.0.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/tags/0.0.0/manifests"}]},"repo_metadata_updated_at":"2025-09-02T05:58:30.793Z","dependent_packages_count":6,"downloads":null,"downloads_period":null,"dependent_repos_count":9,"rankings":{"downloads":null,"dependent_repos_count":11.627326712909825,"dependent_packages_count":9.032386845650981,"stargazers_count":30.794949847796797,"forks_count":21.697689505464343,"docker_downloads_count":null,"average":18.288088227955487},"purl":"pkg:conda/qcengine","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/conda/qcengine","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/conda/qcengine","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/conda/qcengine/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2025-08-31T11:08:16.414Z","issues_count":50,"pull_requests_count":138,"avg_time_to_close_issue":12833598.26923077,"avg_time_to_close_pull_request":4902351.316239316,"issues_closed_count":26,"pull_requests_closed_count":117,"pull_request_authors_count":31,"issue_authors_count":23,"avg_comments_per_issue":2.02,"avg_comments_per_pull_request":2.6231884057971016,"merged_pull_requests_count":95,"bot_issues_count":0,"bot_pull_requests_count":1,"past_year_issues_count":5,"past_year_pull_requests_count":38,"past_year_avg_time_to_close_issue":11506017.0,"past_year_avg_time_to_close_pull_request":1968596.9032258065,"past_year_issues_closed_count":1,"past_year_pull_requests_closed_count":31,"past_year_pull_request_authors_count":4,"past_year_issue_authors_count":5,"past_year_avg_comments_per_issue":0.0,"past_year_avg_comments_per_pull_request":1.1052631578947367,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":27,"issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/issues","maintainers":[{"login":"loriab","count":91,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/loriab"},{"login":"WardLT","count":9,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/WardLT"},{"login":"dotsdl","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dotsdl"},{"login":"susilehtola","count":3,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/susilehtola"},{"login":"Lnaden","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Lnaden"},{"login":"anabiman","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/anabiman"},{"login":"bennybp","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/bennybp"}],"active_maintainers":[{"login":"loriab","count":34,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/loriab"},{"login":"susilehtola","count":3,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/susilehtola"}]},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/qcengine/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/qcengine/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/qcengine/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/qcengine/related_packages","maintainers":[],"registry":{"name":"conda-forge.org","url":"https://conda-forge.org","ecosystem":"conda","default":false,"packages_count":20636,"maintainers_count":0,"namespaces_count":0,"keywords_count":13387,"github":"conda-forge","metadata":{"kind":"conda-forge","key":"CondaForge","api":"https://conda.anaconda.org","funded_packages_count":2180},"icon_url":"https://github.com/conda-forge.png","created_at":"2022-10-03T15:37:08.743Z","updated_at":"2025-09-04T07:00:12.892Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages","maintainers_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/maintainers","namespaces_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/namespaces"}}],"commits":{"id":33998,"full_name":"MolSSI/QCEngine","default_branch":"master","committers":[{"name":"Daniel Smith","email":"malorian@me.com","login":null,"count":304},{"name":"Lori A. Burns","email":"lori.burns@gmail.com","login":null,"count":213},{"name":"Sebastian Lee","email":"sjrl423@gmail.com","login":null,"count":114},{"name":"David Dotson","email":"dotsdl@gmail.com","login":null,"count":54},{"name":"Logan Ward","email":"ward.logan.t@gmail.com","login":null,"count":54},{"name":"Daniel G. A. Smith","email":"dgasmith@vt.edu","login":null,"count":47},{"name":"Johannes Steinmetzer","email":"jsteinmetzer1108@aol.com","login":null,"count":42},{"name":"Matthew Welborn","email":"mattgwelborn@gmail.com","login":null,"count":41},{"name":"Levi Naden","email":"lnaden@vt.edu","login":null,"count":37},{"name":"Adrian Hurtado","email":"ahurta92@gmail.com","login":null,"count":24},{"name":"Sebastian Ehlert","email":"28669218+awvwgk","login":"awvwgk","count":22},{"name":"Fang Liu","email":"fangliu.ustc@gmail.com","login":null,"count":22},{"name":"Taylor Barnes","email":"taylor.a.barnes@gmail.com","login":null,"count":19},{"name":"Daniel Smith","email":"dgasmith@icloud.com","login":null,"count":15},{"name":"Annabelle Lolinco","email":"alolinco@iastate.edu","login":null,"count":10},{"name":"joshuahorton","email":"joshy1691@gmail.com","login":null,"count":9},{"name":"Roberto Di Remigio","email":"roberto.diremigio@gmail.com","login":null,"count":9},{"name":"Logan Ward","email":"WardLT","login":"WardLT","count":8},{"name":"Colton Hicks","email":"github@coltonhicks.com","login":null,"count":7},{"name":"Ke","email":"justxwy@126.com","login":null,"count":6},{"name":"Maximilian Scheurer","email":"max.scheurer@me.com","login":null,"count":6},{"name":"Bradley Dice","email":"bdice@bradleydice.com","login":null,"count":5},{"name":"Justin Turney","email":"justin.turney@gmail.com","login":null,"count":5},{"name":"zachglick","email":"glickzachary@gmail.com","login":null,"count":5},{"name":"eljost","email":"johannes.steinmetzer@uni-jena.de","login":null,"count":5},{"name":"baritone0211","email":"baritone.tut0211@gmail.com","login":null,"count":5},{"name":"Farhad Ramezanghorbani","email":"farhad.ghorbani@gmail.com","login":null,"count":5},{"name":"Josh Horton","email":"Josh.Horton@newcastle.ac.uk","login":null,"count":4},{"name":"jeffschriber","email":"jbschri@emory.edu","login":null,"count":4},{"name":"Johannes Steinmetzer","email":"josteinm@posteo.de","login":null,"count":3},{"name":"Matthew W. Thompson","email":"matt.thompson@vanderbilt.edu","login":null,"count":3},{"name":"Sina Mostafanejad","email":"m_mostafanejad@hotmail.com","login":null,"count":2},{"name":"Michael F. Herbst","email":"info@michael-herbst.com","login":null,"count":2},{"name":"Holger Kruse","email":"mail2holger@gmail.com","login":null,"count":2},{"name":"Annabelle Lolinco","email":"32425772+vivacebelles","login":"vivacebelles","count":2},{"name":"Roberto Di Remigio Eikås","email":"robertodr","login":"robertodr","count":2},{"name":"Andrew Abi-Mansour","email":"andrew.gaam@gmail.com","login":null,"count":2},{"name":"nstair","email":"nick_stair@yahoo.com","login":null,"count":1},{"name":"SimonBoothroyd","email":"simon.boothroyd@colorado.edu","login":null,"count":1},{"name":"Dominic A. Sirianni","email":"sirianni.dom@gmail.com","login":null,"count":1},{"name":"Peter Kraus","email":"peter.kraus@geeksonbikes.net","login":null,"count":1},{"name":"AlexHeide","email":"agh66737@uga.edu","login":null,"count":1},{"name":"Jinze Xue","email":"jinzexue@ufl.edu","login":null,"count":1},{"name":"stvogt","email":"savogt@protonmail.com","login":null,"count":1},{"name":"SimonBoothroyd","email":"simon.boothroyd@hotmail.com","login":null,"count":1},{"name":"Josh A. Mitchell","email":"yoshanuikabundi@gmail.com","login":null,"count":1},{"name":"Levi Naden","email":"levi.naden@choderalab.org","login":"Lnaden","count":1},{"name":"Evgeny Posenitskiy","email":"45995097+q-posev","login":"q-posev","count":1},{"name":"Farhad Ramezanghorbani","email":"farhadrgh","login":"farhadrgh","count":1},{"name":"Benjamin Pritchard","email":"ben@bennyp.org","login":null,"count":1},{"name":"Benjamin G Peyton","email":"bgpeyton@vt.edu","login":null,"count":1},{"name":"Jan Hermann","email":"dev@jan.hermann.name","login":null,"count":1},{"name":"Maximilian Scheurer","email":"104848085+cvsik","login":"cvsik","count":1},{"name":"lgtm-com[bot]","email":"43144390+lgtm-com[bot]","login":"lgtm-com[bot]","count":1}],"total_commits":1136,"total_committers":54,"total_bot_commits":1,"total_bot_committers":1,"mean_commits":21.037037037037038,"dds":0.7323943661971831,"past_year_committers":[{"name":"Lori A. Burns","email":"lori.burns@gmail.com","login":null,"count":18},{"name":"Roberto Di Remigio Eikås","email":"robertodr","login":"robertodr","count":2},{"name":"Josh Horton","email":"Josh.Horton@newcastle.ac.uk","login":null,"count":2},{"name":"taylor-a-barnes","email":"taylor.a.barnes@gmail.com","login":null,"count":2},{"name":"Holger Kruse","email":"mail2holger@gmail.com","login":null,"count":1},{"name":"Benjamin Pritchard","email":"ben@bennyp.org","login":null,"count":1},{"name":"Maximilian Scheurer","email":"104848085+cvsik","login":"cvsik","count":1},{"name":"Jinze Xue","email":"jinzexue@ufl.edu","login":null,"count":1},{"name":"Evgeny Posenitskiy","email":"45995097+q-posev","login":"q-posev","count":1},{"name":"lgtm-com[bot]","email":"43144390+lgtm-com[bot]","login":"lgtm-com[bot]","count":1}],"past_year_total_commits":30,"past_year_total_committers":10,"past_year_total_bot_commits":1,"past_year_total_bot_committers":1,"past_year_mean_commits":3.0,"past_year_dds":0.4,"last_synced_at":"2024-01-29T19:22:11.990Z","last_synced_commit":"7cad296f02850888c697f9fc8955292c22a10e89","created_at":"2023-03-07T16:54:39.513Z","updated_at":"2024-01-29T19:22:11.991Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-04T00:00:25.936Z","repositories_count":5480019,"commits_count":853389012,"contributors_count":31098138,"owners_count":906558,"icon_url":"https://github.com/github.png","host_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories"}},"issues_stats":{"full_name":"MolSSI/QCEngine","html_url":"https://github.com/MolSSI/QCEngine","last_synced_at":"2025-08-31T11:08:16.414Z","status":null,"issues_count":50,"pull_requests_count":138,"avg_time_to_close_issue":12833598.26923077,"avg_time_to_close_pull_request":4902351.316239316,"issues_closed_count":26,"pull_requests_closed_count":117,"pull_request_authors_count":31,"issue_authors_count":23,"avg_comments_per_issue":2.02,"avg_comments_per_pull_request":2.6231884057971016,"merged_pull_requests_count":95,"bot_issues_count":0,"bot_pull_requests_count":1,"past_year_issues_count":5,"past_year_pull_requests_count":38,"past_year_avg_time_to_close_issue":11506017.0,"past_year_avg_time_to_close_pull_request":1968596.9032258065,"past_year_issues_closed_count":1,"past_year_pull_requests_closed_count":31,"past_year_pull_request_authors_count":4,"past_year_issue_authors_count":5,"past_year_avg_comments_per_issue":0.0,"past_year_avg_comments_per_pull_request":1.1052631578947367,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":27,"created_at":"2023-05-10T21:53:56.941Z","updated_at":"2025-09-03T04:15:08.960Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/MolSSI%2FQCEngine/issues","issue_labels_count":{"Documentation":1,"Feature":1},"pull_request_labels_count":{"Enhancement":4,"Bug":3,"Feature":2,"Testing":2,"Documentation":2,"LocalCompute":1},"issue_author_associations_count":{"NONE":22,"CONTRIBUTOR":14,"COLLABORATOR":14},"pull_request_author_associations_count":{"COLLABORATOR":104,"CONTRIBUTOR":34,"NONE":10},"issue_authors":{"WardLT":7,"yurivict":6,"loriab":5,"awvwgk":4,"jthorton":4,"coltonbh":4,"xiki-tempula":3,"topazus":2,"mbanck":2,"philipmnel":1,"jchodera":1,"jlheflin":1,"kianpu34593":1,"hjnpark":1,"pavankum":1,"bismuthadams1":1,"dotsdl":1,"ldamore":1,"hokru":1,"ryanmrichard":1,"susilehtola":1,"kexul":1},"pull_request_authors":{"loriab":92,"jthorton":7,"coltonbh":6,"dotsdl":4,"awvwgk":3,"robertodr":2,"kaka-zuumi":2,"susilehtola":2,"dr-marsmm":2,"mattwelborn":2,"taylor-a-barnes":2,"Lnaden":2,"WardLT":2,"mikemhenry":2,"eljost":2,"muammar":1,"yueyericardo":1,"q-posev":1,"Awallace3":1,"QuChem":1,"mattwthompson":1,"ahurta92":1,"hokru":1,"anabiman":1,"bennybp":1,"Flamefire":1,"tosemml":1,"kexul":1,"lgtm-com[bot]":1,"cvsik":1,"Yoshanuikabundi":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-04T00:00:25.939Z","repositories_count":10081478,"issues_count":31331220,"pull_requests_count":96240505,"authors_count":10693617,"icon_url":"https://github.com/github.png","host_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories","owners_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/owners","authors_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors"},"past_year_issue_labels_count":{},"past_year_pull_request_labels_count":{},"past_year_issue_author_associations_count":{"COLLABORATOR":2,"NONE":2,"CONTRIBUTOR":1},"past_year_pull_request_author_associations_count":{"COLLABORATOR":39,"NONE":2,"CONTRIBUTOR":1},"past_year_issue_authors":{"jlheflin":1,"jthorton":1,"loriab":1,"ryanmrichard":1,"susilehtola":1},"past_year_pull_request_authors":{"loriab":39,"mikemhenry":2,"Awallace3":1},"maintainers":[{"login":"loriab","count":97,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/loriab"},{"login":"WardLT","count":9,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/WardLT"},{"login":"dotsdl","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dotsdl"},{"login":"susilehtola","count":3,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/susilehtola"},{"login":"Lnaden","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Lnaden"},{"login":"anabiman","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/anabiman"},{"login":"bennybp","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/bennybp"}],"active_maintainers":[{"login":"loriab","count":40,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/loriab"},{"login":"susilehtola","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/susilehtola"}]},"events":{"total":{"CreateEvent":8,"ReleaseEvent":3,"IssuesEvent":7,"WatchEvent":22,"DeleteEvent":4,"IssueCommentEvent":31,"PushEvent":46,"PullRequestReviewCommentEvent":29,"PullRequestReviewEvent":25,"PullRequestEvent":36,"ForkEvent":3},"last_year":{"CreateEvent":8,"ReleaseEvent":3,"IssuesEvent":7,"WatchEvent":22,"DeleteEvent":4,"IssueCommentEvent":31,"PushEvent":46,"PullRequestReviewCommentEvent":29,"PullRequestReviewEvent":25,"PullRequestEvent":36,"ForkEvent":3}},"keywords":["chemistry","computational-chemistry","python3","quantum-chemistry","standards"],"dependencies":[{"ecosystem":"actions","filepath":".github/workflows/CI.yml","sha":null,"kind":"manifest","created_at":"2023-02-09T15:46:35.797Z","updated_at":"2023-02-09T15:46:35.797Z","repository_link":"https://github.com/MolSSI/QCEngine/blob/master/.github/workflows/CI.yml","dependencies":[{"id":7497632447,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":7497632448,"package_name":"conda-incubator/setup-miniconda","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":7497632449,"package_name":"codecov/codecov-action","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false},{"id":7497632450,"package_name":"JamesIves/github-pages-deploy-action","ecosystem":"actions","requirements":"4.1.1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/Lint.yml","sha":null,"kind":"manifest","created_at":"2023-02-09T15:46:35.816Z","updated_at":"2023-02-09T15:46:35.816Z","repository_link":"https://github.com/MolSSI/QCEngine/blob/master/.github/workflows/Lint.yml","dependencies":[{"id":7497632468,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false},{"id":7497632469,"package_name":"actions/setup-python","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2023-02-09T15:46:35.826Z","updated_at":"2023-02-09T15:46:35.826Z","repository_link":"https://github.com/MolSSI/QCEngine/blob/master/setup.py","dependencies":[{"id":7497632551,"package_name":"pyyaml","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/codeql.yml","sha":null,"kind":"manifest","created_at":"2023-10-30T20:24:38.095Z","updated_at":"2023-10-30T20:24:38.095Z","repository_link":"https://github.com/MolSSI/QCEngine/blob/master/.github/workflows/codeql.yml","dependencies":[{"id":14295855951,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":14295855952,"package_name":"github/codeql-action/init","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":14295855953,"package_name":"github/codeql-action/autobuild","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":14295855954,"package_name":"github/codeql-action/analyze","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"pyproject.toml","sha":null,"kind":"manifest","created_at":"2023-10-30T20:24:38.216Z","updated_at":"2023-10-30T20:24:38.216Z","repository_link":"https://github.com/MolSSI/QCEngine/blob/master/pyproject.toml","dependencies":[]}],"score":17.52211843086695,"created_at":"2025-09-04T15:50:14.609Z","updated_at":"2025-11-04T15:50:40.420Z","avatar_url":"https://github.com/MolSSI.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":2018,"funding_links":[],"readme_doi_urls":[],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["molecular-dynamics","hints","json-schema","parsing","pydantic","python310","python311","python312","python313","python39"],"project_url":"https://science.ecosyste.ms/api/v1/projects/5220","html_url":"https://science.ecosyste.ms/projects/5220"}