{"id":911,"name":"QMCTorch","description":"QMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systems - Published in JOSS (2023)","url":"https://github.com/nlesc-jcer/qmctorch","last_synced_at":"2025-09-04T16:11:28.241Z","repository":{"id":43260518,"uuid":"255629819","full_name":"NLESC-JCER/QMCTorch","owner":"NLESC-JCER","description":"Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems","archived":false,"fork":false,"pushed_at":"2025-05-13T18:33:38.000Z","size":49536,"stargazers_count":28,"open_issues_count":12,"forks_count":1,"subscribers_count":5,"default_branch":"main","last_synced_at":"2025-08-27T23:53:21.568Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://qmctorch.readthedocs.io/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"apache-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/NLESC-JCER.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.rst","contributing":"CONTRIBUTING.rst","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.rst","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2020-04-14T14:18:24.000Z","updated_at":"2025-06-16T01:47:36.000Z","dependencies_parsed_at":"2023-12-12T21:26:37.125Z","dependency_job_id":"141198db-ac84-488d-9765-14a08f9bee35","html_url":"https://github.com/NLESC-JCER/QMCTorch","commit_stats":{"total_commits":979,"total_committers":4,"mean_commits":244.75,"dds":"0.052093973442288055","last_synced_commit":"cff577059b302490d638f2e77fc3818fb963a9cd"},"previous_names":[],"tags_count":6,"template":false,"template_full_name":null,"purl":"pkg:github/NLESC-JCER/QMCTorch","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/NLESC-JCER","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/sbom","scorecard":{"id":98156,"data":{"date":"2025-08-11","repo":{"name":"github.com/NLESC-JCER/QMCTorch","commit":"387ea7f976903b5293b26c4176875c1540826582"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":3.8,"checks":[{"name":"Code-Review","score":0,"reason":"Found 0/8 approved changesets -- score normalized to 0","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":"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":0,"reason":"0 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 0","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"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":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Warn: no topLevel permission defined: .github/workflows/build.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":"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":"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":"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":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: third-party GitHubAction not pinned by hash: .github/workflows/build.yml:27: update your workflow using https://app.stepsecurity.io/secureworkflow/NLESC-JCER/QMCTorch/build.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/build.yml:30: update your workflow using https://app.stepsecurity.io/secureworkflow/NLESC-JCER/QMCTorch/build.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/build.yml:65: update your workflow using https://app.stepsecurity.io/secureworkflow/NLESC-JCER/QMCTorch/build.yml/main?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/build.yml:37","Warn: pipCommand not pinned by hash: .github/workflows/build.yml:40","Info:   0 out of   1 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   2 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":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: Apache License 2.0: 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":"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":"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":0,"reason":"SAST tool is not run on all commits -- score normalized to 0","details":["Warn: 0 commits out of 28 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":"2025-08-15T09:32:30.394Z","repository_id":43260518,"created_at":"2025-08-15T09:32:30.394Z","updated_at":"2025-08-15T09:32:30.394Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273596972,"owners_count":25134262,"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":"NLESC-JCER","name":"NLESC-JCER","uuid":"44467875","kind":"organization","description":"","email":null,"website":null,"location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/44467875?v=4","repositories_count":13,"last_synced_at":"2023-03-03T14:30:49.377Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/NLESC-JCER","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-14T01:02:08.475Z","updated_at":"2023-03-03T14:30:49.597Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/NLESC-JCER","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/NLESC-JCER/repositories"},"packages":[{"id":2893876,"name":"qmctorch","ecosystem":"pypi","description":"Pytorch Implementation of Quantum Monte Carlo","homepage":"https://github.com/NLESC-JCER/QMCTorch","licenses":"Apache Software License 2.0","normalized_licenses":["Apache-2.0"],"repository_url":"https://github.com/NLESC-JCER/QMCTorch","keywords_array":["qmctorch"],"namespace":null,"versions_count":7,"first_release_published_at":"2020-05-01T13:20:40.000Z","latest_release_published_at":"2025-05-13T12:49:27.000Z","latest_release_number":"0.4.0","last_synced_at":"2025-09-03T20:04:40.724Z","created_at":"2022-04-10T12:24:00.594Z","updated_at":"2025-09-03T20:04:40.724Z","registry_url":"https://pypi.org/project/qmctorch/","install_command":"pip install qmctorch --index-url https://pypi.org/simple","documentation_url":"https://qmctorch.readthedocs.io/","metadata":{"funding":null,"documentation":null,"classifiers":["Development Status :: 4 - Beta","Intended Audience :: Science/Research","License :: OSI Approved :: Apache Software License","Natural Language :: English","Programming Language :: Python :: 3.9","Topic :: Scientific/Engineering :: Chemistry"],"normalized_name":"qmctorch","project_status":null},"repo_metadata":{"id":43260518,"uuid":"255629819","full_name":"NLESC-JCER/QMCTorch","owner":"NLESC-JCER","description":"Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems","archived":false,"fork":false,"pushed_at":"2025-05-13T18:33:38.000Z","size":49536,"stargazers_count":28,"open_issues_count":12,"forks_count":1,"subscribers_count":5,"default_branch":"main","last_synced_at":"2025-08-27T23:53:21.568Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://qmctorch.readthedocs.io/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"apache-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/NLESC-JCER.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.rst","contributing":"CONTRIBUTING.rst","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.rst","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2020-04-14T14:18:24.000Z","updated_at":"2025-06-16T01:47:36.000Z","dependencies_parsed_at":"2023-12-12T21:26:37.125Z","dependency_job_id":"141198db-ac84-488d-9765-14a08f9bee35","html_url":"https://github.com/NLESC-JCER/QMCTorch","commit_stats":{"total_commits":979,"total_committers":4,"mean_commits":244.75,"dds":"0.052093973442288055","last_synced_commit":"cff577059b302490d638f2e77fc3818fb963a9cd"},"previous_names":[],"tags_count":6,"template":false,"template_full_name":null,"purl":"pkg:github/NLESC-JCER/QMCTorch","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/NLESC-JCER","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/sbom","scorecard":{"id":98156,"data":{"date":"2025-08-11","repo":{"name":"github.com/NLESC-JCER/QMCTorch","commit":"387ea7f976903b5293b26c4176875c1540826582"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":3.8,"checks":[{"name":"Code-Review","score":0,"reason":"Found 0/8 approved changesets -- score normalized to 0","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":"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":0,"reason":"0 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 0","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"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":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Warn: no topLevel permission defined: .github/workflows/build.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":"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":"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":"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":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: third-party GitHubAction not pinned by hash: .github/workflows/build.yml:27: update your workflow using https://app.stepsecurity.io/secureworkflow/NLESC-JCER/QMCTorch/build.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/build.yml:30: update your workflow using https://app.stepsecurity.io/secureworkflow/NLESC-JCER/QMCTorch/build.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/build.yml:65: update your workflow using https://app.stepsecurity.io/secureworkflow/NLESC-JCER/QMCTorch/build.yml/main?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/build.yml:37","Warn: pipCommand not pinned by hash: .github/workflows/build.yml:40","Info:   0 out of   1 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   2 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":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: Apache License 2.0: 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":"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":"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":0,"reason":"SAST tool is not run on all commits -- score normalized to 0","details":["Warn: 0 commits out of 28 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":"2025-08-15T09:32:30.394Z","repository_id":43260518,"created_at":"2025-08-15T09:32:30.394Z","updated_at":"2025-08-15T09:32:30.394Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273175329,"owners_count":25058530,"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":"2025-09-01T02:00:09.058Z","response_time":120,"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":"NLESC-JCER","name":"NLESC-JCER","uuid":"44467875","kind":"organization","description":"","email":null,"website":null,"location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/44467875?v=4","repositories_count":13,"last_synced_at":"2023-03-03T14:30:49.377Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/NLESC-JCER","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-14T01:02:08.475Z","updated_at":"2023-03-03T14:30:49.597Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/NLESC-JCER","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/NLESC-JCER/repositories"},"tags":[{"name":"v0.4.0","sha":"bcb183c2c3105e9262c614cc4d9bbb4db8ad9f6d","kind":"commit","published_at":"2025-05-13T12:21:57.000Z","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/v0.4.0","html_url":"https://github.com/NLESC-JCER/QMCTorch/releases/tag/v0.4.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/NLESC-JCER/QMCTorch@v0.4.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.4.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.4.0/manifests"},{"name":"v0.3.3","sha":"f4a5fb0751f56730cd0607f29b97a57c0c13183d","kind":"commit","published_at":"2024-12-05T17:36:18.000Z","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/v0.3.3","html_url":"https://github.com/NLESC-JCER/QMCTorch/releases/tag/v0.3.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/NLESC-JCER/QMCTorch@v0.3.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.3/manifests"},{"name":"v0.3.2","sha":"5aed1349a2d4574c36fd7dc13a6c71474762a480","kind":"commit","published_at":"2023-11-13T16:48:03.000Z","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/v0.3.2","html_url":"https://github.com/NLESC-JCER/QMCTorch/releases/tag/v0.3.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/NLESC-JCER/QMCTorch@v0.3.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.2/manifests"},{"name":"v0.3.1","sha":"bfabcb030ab6147897d26e6730650de9d8900007","kind":"commit","published_at":"2023-10-27T11:52:25.000Z","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/v0.3.1","html_url":"https://github.com/NLESC-JCER/QMCTorch/releases/tag/v0.3.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/NLESC-JCER/QMCTorch@v0.3.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.1/manifests"},{"name":"v0.3.0","sha":"c7f3ac26eb9b3639f984ed1da7b4466075980e72","kind":"commit","published_at":"2023-04-26T14:54:55.000Z","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/v0.3.0","html_url":"https://github.com/NLESC-JCER/QMCTorch/releases/tag/v0.3.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/NLESC-JCER/QMCTorch@v0.3.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.3.0/manifests"},{"name":"v0.1.0","sha":"f7afaaf5ae59309f86155fff5cbc1d5b95698fed","kind":"commit","published_at":"2020-04-29T12:19:47.000Z","download_url":"https://codeload.github.com/NLESC-JCER/QMCTorch/tar.gz/v0.1.0","html_url":"https://github.com/NLESC-JCER/QMCTorch/releases/tag/v0.1.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/NLESC-JCER/QMCTorch@v0.1.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/tags/v0.1.0/manifests"}]},"repo_metadata_updated_at":"2025-09-01T19:18:49.557Z","dependent_packages_count":0,"downloads":116,"downloads_period":"last-month","dependent_repos_count":1,"rankings":{"downloads":17.859146465539702,"dependent_repos_count":21.544734775075646,"dependent_packages_count":10.119285352930213,"stargazers_count":12.95492360497067,"forks_count":19.14609168931293,"docker_downloads_count":null,"average":16.324836377565834},"purl":"pkg:pypi/qmctorch","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/pypi/qmctorch","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/pypi/qmctorch","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/pypi/qmctorch/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2025-08-31T08:42:47.786Z","issues_count":51,"pull_requests_count":115,"avg_time_to_close_issue":47639504.81818182,"avg_time_to_close_pull_request":3022775.3853211007,"issues_closed_count":44,"pull_requests_closed_count":109,"pull_request_authors_count":5,"issue_authors_count":9,"avg_comments_per_issue":0.9215686274509803,"avg_comments_per_pull_request":0.0782608695652174,"merged_pull_requests_count":93,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":2,"past_year_pull_requests_count":39,"past_year_avg_time_to_close_issue":681100.0,"past_year_avg_time_to_close_pull_request":528570.2058823529,"past_year_issues_closed_count":1,"past_year_pull_requests_closed_count":34,"past_year_pull_request_authors_count":1,"past_year_issue_authors_count":2,"past_year_avg_comments_per_issue":3.0,"past_year_avg_comments_per_pull_request":0.0,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":29,"issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/issues","maintainers":[{"login":"felipeZ","count":13,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/felipeZ"},{"login":"matthijsdewit111","count":4,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/matthijsdewit111"},{"login":"Luuk-Renden","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Luuk-Renden"},{"login":"Rik-Breebaart","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Rik-Breebaart"}],"active_maintainers":[]},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qmctorch/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qmctorch/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qmctorch/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/qmctorch/related_packages","maintainers":[{"uuid":"nico_reno","login":"nico_reno","name":null,"email":null,"url":null,"packages_count":8,"html_url":"https://pypi.org/user/nico_reno/","role":null,"created_at":"2023-02-25T07:13:11.544Z","updated_at":"2023-02-25T07:13:11.544Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/nico_reno/packages"}],"registry":{"name":"pypi.org","url":"https://pypi.org","ecosystem":"pypi","default":true,"packages_count":724708,"maintainers_count":308189,"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"}}],"commits":{"id":646352,"full_name":"NLESC-JCER/QMCTorch","default_branch":"main","committers":[{"name":"NicoRenaud","email":"nicolas.gm.renaud@gmail.com","login":"NicoRenaud","count":1411},{"name":"matthijs","email":"matthijs111@gmail.com","login":"matthijsdewit111","count":40},{"name":"felipez","email":"tifonzafel@gmail.com","login":"felipeZ","count":16},{"name":"local_renaud","email":"renaud@ccpgate.tnw.utwente.nl","login":null,"count":1}],"total_commits":1468,"total_committers":4,"total_bot_commits":0,"total_bot_committers":0,"mean_commits":367.0,"dds":0.038828337874659447,"past_year_committers":[{"name":"Nico","email":"nicolas.gm.renaud@gmail.com","login":"NicoRenaud","count":198}],"past_year_total_commits":198,"past_year_total_committers":1,"past_year_total_bot_commits":0,"past_year_total_bot_committers":0,"past_year_mean_commits":198.0,"past_year_dds":0.0,"last_synced_at":"2025-08-07T06:08:30.290Z","last_synced_commit":"387ea7f976903b5293b26c4176875c1540826582","created_at":"2023-03-09T09:09:57.967Z","updated_at":"2025-08-07T06:08:30.291Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-08-08T00:00:12.331Z","repositories_count":5414536,"commits_count":848529355,"contributors_count":30914130,"owners_count":904112,"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":"NLESC-JCER/QMCTorch","html_url":"https://github.com/NLESC-JCER/QMCTorch","last_synced_at":"2025-08-31T08:42:47.786Z","status":null,"issues_count":51,"pull_requests_count":115,"avg_time_to_close_issue":47639504.81818182,"avg_time_to_close_pull_request":3022775.3853211007,"issues_closed_count":44,"pull_requests_closed_count":109,"pull_request_authors_count":5,"issue_authors_count":9,"avg_comments_per_issue":0.9215686274509803,"avg_comments_per_pull_request":0.0782608695652174,"merged_pull_requests_count":93,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":2,"past_year_pull_requests_count":39,"past_year_avg_time_to_close_issue":681100.0,"past_year_avg_time_to_close_pull_request":528570.2058823529,"past_year_issues_closed_count":1,"past_year_pull_requests_closed_count":34,"past_year_pull_request_authors_count":1,"past_year_issue_authors_count":2,"past_year_avg_comments_per_issue":3.0,"past_year_avg_comments_per_pull_request":0.0,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":29,"created_at":"2023-05-14T22:34:28.626Z","updated_at":"2025-09-03T04:59:48.659Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/NLESC-JCER%2FQMCTorch/issues","issue_labels_count":{"enhancement":12,"bug":9,"use case":1},"pull_request_labels_count":{},"issue_author_associations_count":{"CONTRIBUTOR":34,"NONE":9,"MEMBER":7,"COLLABORATOR":1},"pull_request_author_associations_count":{"CONTRIBUTOR":101,"MEMBER":6,"COLLABORATOR":6},"issue_authors":{"NicoRenaud":34,"felipeZ":7,"scemama":4,"tonnylou44853":1,"currymj":1,"Luuk-Renden":1,"Konjkov":1,"f-fathurrahman":1,"fabian-sp":1},"pull_request_authors":{"NicoRenaud":101,"felipeZ":6,"matthijsdewit111":4,"Rik-Breebaart":1,"Luuk-Renden":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-03T00:00:08.273Z","repositories_count":10068975,"issues_count":31218164,"pull_requests_count":95228988,"authors_count":10688649,"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":{"bug":2},"past_year_pull_request_labels_count":{},"past_year_issue_author_associations_count":{"CONTRIBUTOR":1,"NONE":1},"past_year_pull_request_author_associations_count":{"CONTRIBUTOR":41},"past_year_issue_authors":{"Konjkov":1,"NicoRenaud":1},"past_year_pull_request_authors":{"NicoRenaud":41},"maintainers":[{"login":"felipeZ","count":13,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/felipeZ"},{"login":"matthijsdewit111","count":4,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/matthijsdewit111"},{"login":"Luuk-Renden","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Luuk-Renden"},{"login":"Rik-Breebaart","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/Rik-Breebaart"}],"active_maintainers":[]},"events":{"total":{"CreateEvent":25,"ReleaseEvent":2,"IssuesEvent":7,"WatchEvent":5,"DeleteEvent":24,"IssueCommentEvent":12,"PushEvent":150,"PullRequestEvent":38,"ForkEvent":1},"last_year":{"CreateEvent":25,"ReleaseEvent":2,"IssuesEvent":7,"WatchEvent":5,"DeleteEvent":24,"IssueCommentEvent":12,"PushEvent":150,"PullRequestEvent":38,"ForkEvent":1}},"keywords":[],"dependencies":[{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2022-09-10T11:52:05.112Z","updated_at":"2022-09-10T11:52:05.112Z","repository_link":"https://github.com/NLESC-JCER/QMCTorch/blob/main/setup.py","dependencies":[{"id":4391961367,"package_name":"matplotlib","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961368,"package_name":"numpy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961369,"package_name":"argparse","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961370,"package_name":"scipy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961371,"package_name":"tqdm","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961372,"package_name":"torch","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961373,"package_name":"plams","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961374,"package_name":"pyscf","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961375,"package_name":"mendeleev","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961376,"package_name":"twiggy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":4391961377,"package_name":"mpi4py","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/build.yml","sha":null,"kind":"manifest","created_at":"2023-11-11T12:38:03.841Z","updated_at":"2023-11-11T12:38:03.841Z","repository_link":"https://github.com/NLESC-JCER/QMCTorch/blob/main/.github/workflows/build.yml","dependencies":[{"id":14429470067,"package_name":"styfle/cancel-workflow-action","ecosystem":"actions","requirements":"0.12.0","direct":true,"kind":"composite","optional":false},{"id":14429470068,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v4","direct":true,"kind":"composite","optional":false},{"id":14429470069,"package_name":"s-weigand/setup-conda","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false},{"id":14429470356,"package_name":"coverallsapp/github-action","ecosystem":"actions","requirements":"master","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/draft-pdf.yml","sha":null,"kind":"manifest","created_at":"2023-11-11T12:38:04.475Z","updated_at":"2023-11-11T12:38:04.475Z","repository_link":"https://github.com/NLESC-JCER/QMCTorch/blob/main/.github/workflows/draft-pdf.yml","dependencies":[{"id":14429471428,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":14429471429,"package_name":"openjournals/openjournals-draft-action","ecosystem":"actions","requirements":"master","direct":true,"kind":"composite","optional":false},{"id":14429471430,"package_name":"actions/upload-artifact","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"docs/requirements.txt","sha":null,"kind":"manifest","created_at":"2023-11-11T12:38:04.583Z","updated_at":"2023-11-11T12:38:04.583Z","repository_link":"https://github.com/NLESC-JCER/QMCTorch/blob/main/docs/requirements.txt","dependencies":[{"id":14429471510,"package_name":"sphinx","ecosystem":"pypi","requirements":"\u003e=1.4","direct":true,"kind":"runtime","optional":false},{"id":14429471511,"package_name":"ipykernel","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":14429471512,"package_name":"nbsphinx","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":14429471513,"package_name":"sphinx_rtd_theme","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]}],"score":9.845858439699493,"created_at":"2025-09-04T09:17:41.054Z","updated_at":"2025-10-07T08:04:28.344Z","avatar_url":"https://github.com/NLESC-JCER.png","language":"Python","category":"Scientific Software","sub_category":"Peer-reviewed","monthly_downloads":116,"funding_links":[],"readme_doi_urls":["https://doi.org/10.5281/zenodo.3780094","https://doi.org/10.21105/joss.05472"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":[],"project_url":"https://science.ecosyste.ms/api/v1/projects/911","html_url":"https://science.ecosyste.ms/projects/911"}