{"id":32825,"name":"openff-bespokefit","description":"Automated tools for the generation of bespoke SMIRNOFF format parameters for individual  molecules.","url":"https://github.com/openforcefield/openff-bespokefit","last_synced_at":"2025-09-05T05:36:41.530Z","repository":{"id":37900768,"uuid":"241694600","full_name":"openforcefield/openff-bespokefit","owner":"openforcefield","description":"Automated tools for the generation of bespoke SMIRNOFF format parameters for individual  molecules.","archived":false,"fork":false,"pushed_at":"2025-07-29T21:36:38.000Z","size":1811,"stargazers_count":70,"open_issues_count":58,"forks_count":10,"subscribers_count":20,"default_branch":"main","last_synced_at":"2025-07-29T23:58:26.986Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://docs.openforcefield.org/bespokefit","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/openforcefield.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":".github/CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":"CITATION.cff","codeowners":".github/CODEOWNERS","security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2020-02-19T18:31:38.000Z","updated_at":"2025-07-16T21:59:21.000Z","dependencies_parsed_at":"2024-02-05T22:48:04.443Z","dependency_job_id":"3b223b41-e916-4257-b970-bf105db9df2e","html_url":"https://github.com/openforcefield/openff-bespokefit","commit_stats":{"total_commits":222,"total_committers":12,"mean_commits":18.5,"dds":0.6711711711711712,"last_synced_commit":"af3d2bc142d4955e47fc00fb40cc413d37297836"},"previous_names":[],"tags_count":16,"template":false,"template_full_name":null,"purl":"pkg:github/openforcefield/openff-bespokefit","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/openforcefield","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273717493,"owners_count":25155480,"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":"2025-09-05T02:00:09.113Z","response_time":402,"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":"openforcefield","name":"Open Force Field Initiative","uuid":"18539698","kind":"organization","description":"An open source, open science, and open data approach to better force fields","email":null,"website":"http://openforcefield.org","location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/18539698?v=4","repositories_count":61,"last_synced_at":"2023-08-21T16:20:44.131Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/openforcefield","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-07T19:35:13.042Z","updated_at":"2023-08-21T16:20:45.882Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/openforcefield","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/openforcefield/repositories"},"packages":[{"id":5299928,"name":"openff-bespokefit","ecosystem":"conda","description":null,"homepage":"https://openforcefield.org/","licenses":"MIT","normalized_licenses":["MIT"],"repository_url":"https://github.com/openforcefield/openff-bespokefit","keywords_array":[],"namespace":null,"versions_count":3,"first_release_published_at":"2022-02-24T17:59:48.000Z","latest_release_published_at":"2022-05-17T17:14:39.000Z","latest_release_number":"0.1.2","last_synced_at":"2025-08-27T11:05:27.395Z","created_at":"2022-10-03T16:07:43.969Z","updated_at":"2025-08-27T11:05:27.395Z","registry_url":"https://anaconda.org/conda-forge/openff-bespokefit","install_command":"conda install -c conda-forge openff-bespokefit","documentation_url":null,"metadata":{},"repo_metadata":{"uuid":"241694600","full_name":"openforcefield/openff-bespokefit","owner":"openforcefield","description":"Automated tools for the generation of bespoke SMIRNOFF format parameters for individual  molecules.","archived":false,"fork":false,"pushed_at":"2023-03-20T13:56:52.000Z","size":1468,"stargazers_count":34,"open_issues_count":36,"forks_count":7,"subscribers_count":21,"default_branch":"main","last_synced_at":"2023-03-20T15:13:53.010Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://docs.openforcefield.org/bespokefit","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,"logo_url":null,"metadata":{"files":{"readme":"README.md","changelog":null,"contributing":".github/CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null}},"created_at":"2020-02-19T18:31:38.000Z","updated_at":"2023-03-16T06:32:55.000Z","dependencies_parsed_at":"2023-02-18T08:16:00.911Z","dependency_job_id":null,"html_url":"https://github.com/openforcefield/openff-bespokefit","commit_stats":null,"repository_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit","tags_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/tags","manifests_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/manifests","owner_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/openforcefield","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":108921946,"host_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names"},"owner_record":{"login":"openforcefield","name":"Open Force Field Initiative","uuid":"18539698","kind":"organization","description":"An open source, open science, and open data approach to better force fields","email":null,"website":"http://openforcefield.org","location":null,"twitter":null,"company":null,"avatar_url":"https://avatars.githubusercontent.com/u/18539698?v=4","repositories_count":43,"last_synced_at":"2023-02-24T03:20:21.730Z","metadata":{"has_sponsors_listing":false},"owner_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/openforcefield"},"tags":[{"name":"0.2.0","sha":"c0f1badf47951782f2e4986583e74ce02ec6261c","kind":"commit","published_at":"2022-12-13T19:18:43.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.2.0","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.2.0"},{"name":"0.1.3","sha":"3abdcca136cf47d33420081ea7c4e4fb5c3f052e","kind":"commit","published_at":"2022-11-16T01:44:52.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.1.3","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.1.3"},{"name":"0.1.2","sha":"cb5aa10d389a45425563c7dce75b014a4229d1a0","kind":"commit","published_at":"2022-05-17T14:59:24.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.1.2","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.1.2"},{"name":"0.1.1","sha":"6503de21a9a22095a4556ccaf0cec02851a7220a","kind":"commit","published_at":"2022-03-18T09:30:30.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.1.1","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.1.1"},{"name":"0.1.0","sha":"93ac0d98637e2c2c7b37a8c081d91bb5a20ca3c3","kind":"commit","published_at":"2022-02-23T16:20:30.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.1.0","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.1.0"},{"name":"27c4904","sha":"a254b1947e0da40df380539e4f9f99b6c7dda638","kind":"commit","published_at":"2021-09-21T13:54:18.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/27c4904","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/27c4904"},{"name":"0.0.1-alpha.2","sha":"58c1594f7f833839017c624a229359460fd8f926","kind":"commit","published_at":"2021-08-03T15:16:00.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.0.1-alpha.2","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.0.1-alpha.2"},{"name":"0.0.1-alpha.1","sha":"ee89bbdeb22f6bac539e4c128020dc70d0b84efd","kind":"commit","published_at":"2021-08-03T13:43:11.000Z","download_url":"https://codeload.github.com/openforcefield/openff-bespokefit/tar.gz/0.0.1-alpha.1","html_url":"https://github.com/openforcefield/openff-bespokefit/releases/tag/0.0.1-alpha.1"}]},"repo_metadata_updated_at":"2023-03-22T07:28:27.665Z","dependent_packages_count":0,"downloads":null,"downloads_period":null,"dependent_repos_count":1,"rankings":{"downloads":null,"dependent_repos_count":24.347522331453668,"dependent_packages_count":51.58940066869604,"stargazers_count":44.07904586057189,"forks_count":48.934577573731225,"docker_downloads_count":null,"average":42.2376366086132},"purl":"pkg:conda/openff-bespokefit","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/conda/openff-bespokefit","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/conda/openff-bespokefit","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/conda/openff-bespokefit/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2023-08-09T04:48:49.725Z","issues_count":56,"pull_requests_count":64,"avg_time_to_close_issue":1662454.6785714286,"avg_time_to_close_pull_request":2261291.4545454546,"issues_closed_count":28,"pull_requests_closed_count":55,"pull_request_authors_count":8,"issue_authors_count":18,"avg_comments_per_issue":3.3035714285714284,"avg_comments_per_pull_request":3.578125,"merged_pull_requests_count":44,"bot_issues_count":0,"bot_pull_requests_count":9,"past_year_issues_count":38,"past_year_pull_requests_count":46,"past_year_avg_time_to_close_issue":618869.2352941176,"past_year_avg_time_to_close_pull_request":1215513.9743589743,"past_year_issues_closed_count":17,"past_year_pull_requests_closed_count":39,"past_year_pull_request_authors_count":7,"past_year_issue_authors_count":16,"past_year_avg_comments_per_issue":2.6578947368421053,"past_year_avg_comments_per_pull_request":3.6956521739130435,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":7,"past_year_merged_pull_requests_count":30},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openff-bespokefit/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openff-bespokefit/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openff-bespokefit/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openff-bespokefit/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":33071,"full_name":"openforcefield/openff-bespokefit","default_branch":"main","committers":[{"name":"SimonBoothroyd","email":"simon.boothroyd@hotmail.com","count":73},{"name":"Josh Mitchell","email":"yoshanuikabundi@gmail.com","count":52},{"name":"Josh Horton","email":"Josh.Horton@newcastle.ac.uk","count":24},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]@users.noreply.github.com","count":17},{"name":"jthorton","email":"joshy1691@gmail.com","count":16},{"name":"jthorton","email":"j.t.horton2@newcastle.ac.uk","count":15},{"name":"Matt Thompson","email":"mattwthompson@protonmail.com","count":10},{"name":"j-wags","email":"jwagnerjpl@gmail.com","count":10},{"name":"Josh Horton","email":"J.T.Horton2@newcastle.ac.uk","count":2},{"name":"Matt Thompson","email":"matt.thompson@openforcefield.org","count":1},{"name":"Xavier Linn","email":"xperrylinn@berkeley.edu","count":1},{"name":"pre-commit-ci[bot]","email":"66853113+pre-commit-ci[bot]@users.noreply.github.com","count":1}],"total_commits":222,"total_committers":12,"total_bot_commits":18,"total_bot_committers":2,"mean_commits":18.5,"dds":0.6711711711711712,"past_year_committers":[{"name":"Josh Mitchell","email":"yoshanuikabundi@gmail.com","count":39},{"name":"Matt Thompson","email":"mattwthompson@protonmail.com","count":10},{"name":"j-wags","email":"jwagnerjpl@gmail.com","count":10},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]@users.noreply.github.com","count":3},{"name":"Josh Horton","email":"Josh.Horton@newcastle.ac.uk","count":2},{"name":"Matt Thompson","email":"matt.thompson@openforcefield.org","count":1},{"name":"SimonBoothroyd","email":"simon.boothroyd@hotmail.com","count":1},{"name":"Xavier Linn","email":"xperrylinn@berkeley.edu","count":1},{"name":"pre-commit-ci[bot]","email":"66853113+pre-commit-ci[bot]@users.noreply.github.com","count":1}],"past_year_total_commits":68,"past_year_total_committers":9,"past_year_total_bot_commits":4,"past_year_total_bot_committers":2,"past_year_mean_commits":7.555555555555555,"past_year_dds":0.42647058823529416,"last_synced_at":"2023-04-26T15:16:05.567Z","last_synced_commit":"af3d2bc142d4955e47fc00fb40cc413d37297836","created_at":"2023-03-07T16:51:13.621Z","updated_at":"2023-09-19T15:43:40.907Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-05T00:00:10.343Z","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":"openforcefield/openff-bespokefit","html_url":"https://github.com/openforcefield/openff-bespokefit","last_synced_at":"2025-08-31T10:09:00.265Z","status":null,"issues_count":76,"pull_requests_count":80,"avg_time_to_close_issue":1528966.6216216215,"avg_time_to_close_pull_request":2753141.606060606,"issues_closed_count":37,"pull_requests_closed_count":66,"pull_request_authors_count":8,"issue_authors_count":24,"avg_comments_per_issue":2.6973684210526314,"avg_comments_per_pull_request":3.0875,"merged_pull_requests_count":52,"bot_issues_count":0,"bot_pull_requests_count":11,"past_year_issues_count":20,"past_year_pull_requests_count":15,"past_year_avg_time_to_close_issue":1113670.4444444445,"past_year_avg_time_to_close_pull_request":1851022.6,"past_year_issues_closed_count":9,"past_year_pull_requests_closed_count":10,"past_year_pull_request_authors_count":4,"past_year_issue_authors_count":8,"past_year_avg_comments_per_issue":1.0,"past_year_avg_comments_per_pull_request":1.0,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":2,"past_year_merged_pull_requests_count":8,"created_at":"2023-05-10T21:45:38.338Z","updated_at":"2025-09-03T04:15:08.981Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/openforcefield%2Fopenff-bespokefit/issues","issue_labels_count":{"documentation":11,"dependencies":7,"enhancement":4,"external-dependencies":3,"bug":3,"question":1,"proton-transfer":1,"help wanted":1},"pull_request_labels_count":{"dependencies":9},"issue_author_associations_count":{"NONE":46,"MEMBER":32,"CONTRIBUTOR":15},"pull_request_author_associations_count":{"MEMBER":61,"CONTRIBUTOR":49,"NONE":2},"issue_authors":{"mattwthompson":16,"j-wags":16,"xiki-tempula":13,"Yoshanuikabundi":9,"jthorton":5,"simonlichtinger":4,"ognjenperisic":3,"okbckim":2,"jgninterline":2,"orionarcher":2,"lilyminium":2,"hmacdope":2,"kexul":1,"yongfengye":1,"simonaxelrod":1,"aqemia-jasmin-guven":1,"ntBre":1,"delescureL":1,"rvkrishnan30":1,"MaTiHo":1,"lvotapka":1,"BillSwope":1,"mmagithub":1,"JuroDobias":1,"ctakacs":1,"mattholc":1,"GlockPL":1,"jacob-votava":1,"ballaneypranav":1},"pull_request_authors":{"mattwthompson":46,"Yoshanuikabundi":18,"j-wags":15,"jthorton":11,"dependabot[bot]":9,"pre-commit-ci[bot]":6,"SimonBoothroyd":3,"xperrylinn":1,"mikemhenry":1,"hmacdope":1,"ntBre":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-05T00:00:10.444Z","repositories_count":10086183,"issues_count":31279889,"pull_requests_count":96394260,"authors_count":10695968,"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":{"dependencies":2},"past_year_issue_author_associations_count":{"MEMBER":16,"NONE":8,"CONTRIBUTOR":1},"past_year_pull_request_author_associations_count":{"MEMBER":15,"CONTRIBUTOR":7,"NONE":1},"past_year_issue_authors":{"j-wags":9,"mattwthompson":7,"lilyminium":2,"ballaneypranav":1,"BillSwope":1,"hmacdope":1,"jacob-votava":1,"mattholc":1,"mmagithub":1,"ntBre":1},"past_year_pull_request_authors":{"j-wags":10,"mattwthompson":5,"Yoshanuikabundi":2,"dependabot[bot]":2,"pre-commit-ci[bot]":2,"ntBre":1,"mikemhenry":1},"maintainers":[{"login":"mattwthompson","count":62,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/mattwthompson"},{"login":"j-wags","count":31,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/j-wags"}],"active_maintainers":[{"login":"j-wags","count":19,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/j-wags"},{"login":"mattwthompson","count":12,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/mattwthompson"}]},"events":{"total":{"CreateEvent":17,"ReleaseEvent":2,"IssuesEvent":33,"WatchEvent":8,"DeleteEvent":8,"IssueCommentEvent":90,"PushEvent":78,"PullRequestReviewCommentEvent":8,"PullRequestReviewEvent":25,"PullRequestEvent":39,"ForkEvent":1},"last_year":{"CreateEvent":17,"ReleaseEvent":2,"IssuesEvent":33,"WatchEvent":8,"DeleteEvent":8,"IssueCommentEvent":90,"PushEvent":78,"PullRequestReviewCommentEvent":8,"PullRequestReviewEvent":25,"PullRequestEvent":39,"ForkEvent":1}},"keywords":[],"dependencies":[{"ecosystem":"actions","filepath":".github/workflows/CI.yaml","sha":null,"kind":"manifest","created_at":"2023-02-18T08:15:55.209Z","updated_at":"2023-02-18T08:15:55.209Z","repository_link":"https://github.com/openforcefield/openff-bespokefit/blob/main/.github/workflows/CI.yaml","dependencies":[{"id":7757358055,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":7757358056,"package_name":"mamba-org/provision-with-micromamba","ecosystem":"actions","requirements":"main","direct":true,"kind":"composite","optional":false},{"id":7757358057,"package_name":"codecov/codecov-action","ecosystem":"actions","requirements":"v3.1.1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/installer.yml","sha":null,"kind":"manifest","created_at":"2023-02-18T08:15:58.513Z","updated_at":"2023-02-18T08:15:58.513Z","repository_link":"https://github.com/openforcefield/openff-bespokefit/blob/main/.github/workflows/installer.yml","dependencies":[{"id":7757382601,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":7757382602,"package_name":"mamba-org/provision-with-micromamba","ecosystem":"actions","requirements":"main","direct":true,"kind":"composite","optional":false},{"id":7757382603,"package_name":"actions/upload-artifact","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2024-01-01T19:46:01.876Z","updated_at":"2024-01-01T19:46:01.876Z","repository_link":"https://github.com/openforcefield/openff-bespokefit/blob/main/setup.py","dependencies":[]}],"score":7.336936913707618,"created_at":"2025-09-04T15:51:06.025Z","updated_at":"2025-10-07T08:13:53.109Z","avatar_url":"https://github.com/openforcefield.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":0,"funding_links":[],"readme_doi_urls":["https://doi.org/10.1021/acs.jcim.2c01153","https://doi.org/10.26434/chemrxiv-2022-6h628"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["chemistry","computational-chemistry","quantum-chemistry","standards","codata","nist","periodic-table","physical-constant"],"project_url":"https://science.ecosyste.ms/api/v1/projects/32825","html_url":"https://science.ecosyste.ms/projects/32825","bibtex_url":"https://science.ecosyste.ms/projects/32825/export.bibtex","apalike_url":"https://science.ecosyste.ms/projects/32825/export.apalike"}