{"id":151429,"name":null,"description":"Analysing molecular dynamics simulations of crystalline materials using site occupations","url":"https://github.com/bjmorgan/site-analysis","last_synced_at":"2025-09-09T15:32:11.391Z","repository":{"id":57467944,"uuid":"196561551","full_name":"bjmorgan/site-analysis","owner":"bjmorgan","description":"Analysing molecular dynamics simulations of crystalline materials using site occupations","archived":false,"fork":false,"pushed_at":"2025-09-01T17:44:53.000Z","size":13470,"stargazers_count":18,"open_issues_count":1,"forks_count":4,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-09-01T18:10:27.780Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/bjmorgan.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":"CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":null,"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,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2019-07-12T10:41:16.000Z","updated_at":"2025-09-01T17:42:53.000Z","dependencies_parsed_at":"2025-05-02T08:32:37.832Z","dependency_job_id":"62da227f-bab7-408c-bdf7-ae5072451b5b","html_url":"https://github.com/bjmorgan/site-analysis","commit_stats":null,"previous_names":[],"tags_count":20,"template":false,"template_full_name":null,"purl":"pkg:github/bjmorgan/site-analysis","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/bjmorgan","download_url":"https://codeload.github.com/bjmorgan/site-analysis/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis/sbom","scorecard":{"id":241258,"data":{"date":"2025-08-11","repo":{"name":"github.com/bjmorgan/site-analysis","commit":"60d0ff8e23c4d00b296f5e25b9349637b0a7f187"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":4.7,"checks":[{"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":"Code-Review","score":0,"reason":"Found 0/10 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":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Info: jobLevel 'contents' permission set to 'read': .github/workflows/python-publish.yml:100","Warn: no topLevel permission defined: .github/workflows/build.yml:1","Warn: no topLevel permission defined: .github/workflows/draft-pdf.yml:1","Warn: no topLevel permission defined: .github/workflows/python-publish.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":"Maintained","score":10,"reason":"30 commit(s) and 3 issue activity found in the last 90 days -- score normalized to 10","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":"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/build.yml:14: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/build.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/build.yml:17: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/build.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/build.yml:34: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/build.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/build.yml:52: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/build.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/draft-pdf.yml:16: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/draft-pdf.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:17: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/python-publish.yml:22: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:58: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:68: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:73: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:88: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:104: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/python-publish.yml:110: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/python-publish.yml:119: update your workflow using https://app.stepsecurity.io/secureworkflow/bjmorgan/site-analysis/python-publish.yml/main?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/build.yml:24","Warn: pipCommand not pinned by hash: .github/workflows/build.yml:26","Warn: pipCommand not pinned by hash: .github/workflows/python-publish.yml:84","Info:   2 out of  11 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   5 third-party GitHubAction dependencies pinned","Info:   0 out of   3 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":"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":"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":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: MIT 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":"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":0,"reason":"branch protection not enabled on development/release branches","details":["Warn: branch protection not enabled for branch 'main'"],"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":"Packaging","score":10,"reason":"packaging workflow detected","details":["Info: Project packages its releases by way of GitHub Actions.: .github/workflows/python-publish.yml:93"],"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":"SAST","score":0,"reason":"SAST tool is not run on all commits -- score normalized to 0","details":["Warn: 0 commits out of 24 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":"2025-08-17T06:43:21.541Z","repository_id":57467944,"created_at":"2025-08-17T06:43:21.541Z","updated_at":"2025-08-17T06:43:21.541Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":274317137,"owners_count":25262821,"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":"2025-09-09T02:00:10.223Z","response_time":80,"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":"bjmorgan","name":"Benjamin Morgan","uuid":"1182923","kind":"user","description":"Computational Chemistry at the University of Bath, UK. ","email":"","website":null,"location":"Bath, UK","twitter":null,"company":"University of Bath","icon_url":"https://avatars.githubusercontent.com/u/1182923?v=4","repositories_count":73,"last_synced_at":"2024-12-06T21:59:45.803Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/bjmorgan","funding_links":[],"total_stars":233,"followers":107,"following":3,"created_at":"2022-11-03T05:08:25.184Z","updated_at":"2024-12-06T21:59:45.803Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/bjmorgan","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/bjmorgan/repositories"},"packages":null,"commits":{"id":659769,"full_name":"bjmorgan/site-analysis","default_branch":"main","committers":[{"name":"Benjamin Morgan","email":"benmorgan2@gmail.com","count":129},{"name":"Benjamin","email":"b.j.morgan@bath.ac.uk","count":15},{"name":"Benjamin Morgan","email":"Benjmain","count":1}],"total_commits":145,"total_committers":3,"total_bot_commits":0,"total_bot_committers":0,"mean_commits":48.333333333333336,"dds":0.1103448275862069,"past_year_committers":null,"past_year_total_commits":null,"past_year_total_committers":null,"past_year_total_bot_commits":null,"past_year_total_bot_committers":null,"past_year_mean_commits":null,"past_year_dds":null,"last_synced_at":"2023-03-19T15:49:22.426Z","last_synced_commit":"6ee5746612ff37bd76c924cb84f0d57d2a7d9a47","created_at":"2023-03-09T09:58:53.995Z","updated_at":"2023-09-19T17:35:09.737Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-09T00:17:06.873Z","repositories_count":5526351,"commits_count":868908184,"contributors_count":31979351,"owners_count":917354,"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":"bjmorgan/site-analysis","html_url":"https://github.com/bjmorgan/site-analysis","last_synced_at":"2025-05-02T08:49:54.659Z","status":null,"issues_count":0,"pull_requests_count":2,"avg_time_to_close_issue":null,"avg_time_to_close_pull_request":379102.0,"issues_closed_count":0,"pull_requests_closed_count":2,"pull_request_authors_count":2,"issue_authors_count":0,"avg_comments_per_issue":null,"avg_comments_per_pull_request":0.0,"merged_pull_requests_count":0,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":0,"past_year_pull_requests_count":1,"past_year_avg_time_to_close_issue":null,"past_year_avg_time_to_close_pull_request":37533.0,"past_year_issues_closed_count":0,"past_year_pull_requests_closed_count":1,"past_year_pull_request_authors_count":1,"past_year_issue_authors_count":0,"past_year_avg_comments_per_issue":null,"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":0,"created_at":"2023-05-15T00:07:22.479Z","updated_at":"2025-09-03T00:45:19.139Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/bjmorgan%2Fsite-analysis/issues","issue_labels_count":{"enhancement":6,"documentation":4,"bug":2},"pull_request_labels_count":{},"issue_author_associations_count":{"OWNER":11},"pull_request_author_associations_count":{"OWNER":13,"NONE":3},"issue_authors":{"bjmorgan":11},"pull_request_authors":{"bjmorgan":13,"ChrisDavi3s":2,"PatrickJTaylor":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-03T00:00:08.273Z","repositories_count":10054267,"issues_count":30904236,"pull_requests_count":92680120,"authors_count":10550835,"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":{"enhancement":6,"documentation":4,"bug":2},"past_year_pull_request_labels_count":{},"past_year_issue_author_associations_count":{"OWNER":11},"past_year_pull_request_author_associations_count":{"OWNER":13,"NONE":2},"past_year_issue_authors":{"bjmorgan":11},"past_year_pull_request_authors":{"bjmorgan":13,"ChrisDavi3s":2},"maintainers":[{"login":"bjmorgan","count":24,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/bjmorgan"}],"active_maintainers":[{"login":"bjmorgan","count":24,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/bjmorgan"}]},"events":{"total":{"CreateEvent":19,"IssuesEvent":19,"ReleaseEvent":17,"WatchEvent":8,"DeleteEvent":9,"IssueCommentEvent":1,"PushEvent":204,"PullRequestReviewEvent":6,"PullRequestReviewCommentEvent":3,"PullRequestEvent":26},"last_year":{"CreateEvent":19,"IssuesEvent":19,"ReleaseEvent":17,"WatchEvent":8,"DeleteEvent":9,"IssueCommentEvent":1,"PushEvent":204,"PullRequestReviewEvent":6,"PullRequestReviewCommentEvent":3,"PullRequestEvent":26}},"keywords":[],"dependencies":[{"ecosystem":"pypi","filepath":"docs/requirements.txt","sha":null,"kind":"manifest","created_at":"2022-09-19T08:20:15.077Z","updated_at":"2022-09-19T08:20:15.077Z","repository_link":"https://github.com/bjmorgan/site-analysis/blob/main/docs/requirements.txt","dependencies":[{"id":5408244659,"package_name":"sphinx","ecosystem":"pypi","requirements":"\u003e=1.6.3","direct":true,"kind":"runtime","optional":false},{"id":5408244660,"package_name":"nbsphinx","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":5408244661,"package_name":"sphinx-rtd-theme","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":5408244662,"package_name":"recommonmark","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"requirements.txt","sha":null,"kind":"manifest","created_at":"2022-09-19T08:20:15.221Z","updated_at":"2022-09-19T08:20:15.221Z","repository_link":"https://github.com/bjmorgan/site-analysis/blob/main/requirements.txt","dependencies":[{"id":5408244833,"package_name":"numpy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":5408244834,"package_name":"scipy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":5408244835,"package_name":"codeclimate-test-reporter","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":5408244836,"package_name":"coverage","ecosystem":"pypi","requirements":"==4.3.4","direct":true,"kind":"runtime","optional":false},{"id":5408244837,"package_name":"monty","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":5408244838,"package_name":"pymatgen","ecosystem":"pypi","requirements":"\u003e=2022.0.3","direct":true,"kind":"runtime","optional":false},{"id":5408244839,"package_name":"tqdm","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/build.yml","sha":null,"kind":"manifest","created_at":"2023-02-09T11:16:40.223Z","updated_at":"2023-02-09T11:16:40.223Z","repository_link":"https://github.com/bjmorgan/site-analysis/blob/main/.github/workflows/build.yml","dependencies":[{"id":7488114779,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":7488114783,"package_name":"actions/setup-python","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":7488114786,"package_name":"coverallsapp/github-action","ecosystem":"actions","requirements":"1.1.3","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2025-05-02T08:32:37.768Z","updated_at":"2025-05-02T08:32:37.768Z","repository_link":"https://github.com/bjmorgan/site-analysis/blob/main/setup.py","dependencies":[]}],"score":4.04305126783455,"created_at":"2025-09-09T00:31:48.262Z","updated_at":"2025-10-07T08:37:33.555Z","avatar_url":"https://github.com/bjmorgan.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":0,"funding_links":[],"readme_doi_urls":[],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":[],"project_url":"https://science.ecosyste.ms/api/v1/projects/151429","html_url":"https://science.ecosyste.ms/projects/151429"}