{"id":1017,"name":"Molearn","description":"Molearn: a Python package streamlining the design of generative models of biomolecular dynamics - Published in JOSS (2023)","url":"https://github.com/degiacomi-lab/molearn","last_synced_at":"2025-09-04T16:13:35.013Z","repository":{"id":45553215,"uuid":"145391811","full_name":"Degiacomi-Lab/molearn","owner":"Degiacomi-Lab","description":"protein conformational spaces meet machine learning","archived":false,"fork":false,"pushed_at":"2025-06-20T13:35:47.000Z","size":236617,"stargazers_count":47,"open_issues_count":3,"forks_count":15,"subscribers_count":8,"default_branch":"master","last_synced_at":"2025-09-04T11:25:51.697Z","etag":null,"topics":["machine-learning","molecular-dynamics","molecular-modeling","protein-structure"],"latest_commit_sha":null,"homepage":"https://degiacomi.org/software/molearn/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Degiacomi-Lab.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}},"created_at":"2018-08-20T08:53:37.000Z","updated_at":"2025-09-02T13:41:27.000Z","dependencies_parsed_at":"2023-02-18T18:01:48.037Z","dependency_job_id":"50ed4e4e-0a62-4235-8d43-dc2afb9d86a7","html_url":"https://github.com/Degiacomi-Lab/molearn","commit_stats":{"total_commits":119,"total_committers":5,"mean_commits":23.8,"dds":0.5714285714285714,"last_synced_commit":"94e2d6fe3545066190713e2bc2881ebe17a257fd"},"previous_names":[],"tags_count":10,"template":false,"template_full_name":null,"purl":"pkg:github/Degiacomi-Lab/molearn","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Degiacomi-Lab","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273634760,"owners_count":25141043,"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":"Degiacomi-Lab","name":"Degiacomi Research Group","uuid":"102035266","kind":"organization","description":"","email":"matteo.t.degiacomi@durham.ac.uk","website":"www.degiacomi.org","location":"United Kingdom","twitter":"MatteoDegiacomi","company":null,"icon_url":"https://avatars.githubusercontent.com/u/102035266?v=4","repositories_count":9,"last_synced_at":"2024-03-27T01:00:00.947Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/Degiacomi-Lab","funding_links":[],"total_stars":75,"followers":9,"following":0,"created_at":"2022-11-04T21:51:11.367Z","updated_at":"2024-03-27T01:00:01.066Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Degiacomi-Lab","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Degiacomi-Lab/repositories"},"packages":[{"id":5299329,"name":"molearn","ecosystem":"conda","description":"This software trains a generative neural network on an ensemble of molecular conformations (typically obtained by molecular dynamics). The trained model can be used to generate new, plausible conformations repesentative of poorly sampled transition states.","homepage":"https://github.com/Degiacomi-Lab/molearn","licenses":"GPL-3.0-only","normalized_licenses":["GPL-3.0-only"],"repository_url":"https://github.com/Degiacomi-Lab/molearn","keywords_array":[],"namespace":null,"versions_count":3,"first_release_published_at":"2022-05-30T11:40:18.000Z","latest_release_published_at":"2022-10-27T11:37:42.000Z","latest_release_number":"1.1.3","last_synced_at":"2025-09-03T20:05:11.154Z","created_at":"2022-10-03T16:06:13.166Z","updated_at":"2025-09-03T20:05:11.154Z","registry_url":"https://anaconda.org/conda-forge/molearn","install_command":"conda install -c conda-forge molearn","documentation_url":null,"metadata":{},"repo_metadata":{"uuid":"145391811","full_name":"Degiacomi-Lab/molearn","owner":"Degiacomi-Lab","description":"molecular conformational spaces meet machine learning","archived":false,"fork":false,"pushed_at":"2023-02-24T19:12:03.000Z","size":1281,"stargazers_count":19,"open_issues_count":0,"forks_count":3,"subscribers_count":9,"default_branch":"master","last_synced_at":"2023-03-13T21:45:16.942Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"logo_url":null,"metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null}},"created_at":"2018-08-20T08:53:37.000Z","updated_at":"2023-03-13T21:45:16.943Z","dependencies_parsed_at":"2023-02-18T18:01:48.037Z","dependency_job_id":null,"html_url":"https://github.com/Degiacomi-Lab/molearn","commit_stats":null,"repository_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn","tags_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags","manifests_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/manifests","owner_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Degiacomi-Lab","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":"Degiacomi-Lab","name":"Degiacomi Research Group","uuid":"102035266","kind":"organization","description":"","email":"matteo.t.degiacomi@durham.ac.uk","website":"www.degiacomi.org","location":"United Kingdom","twitter":"MatteoDegiacomi","company":null,"avatar_url":"https://avatars.githubusercontent.com/u/102035266?v=4","repositories_count":4,"last_synced_at":"2023-02-20T07:20:21.282Z","metadata":{"has_sponsors_listing":false},"owner_url":"http://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Degiacomi-Lab"},"tags":[{"name":"v1.1.3","sha":"0cba6f4eef8488df3b63d27524784e0bcea12049","kind":"commit","published_at":"2022-10-27T09:10:18.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v1.1.3","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v1.1.3"},{"name":"v1.1.2","sha":"35a535a8c283094ea6a4d2a33333aa0abac43f4b","kind":"commit","published_at":"2022-10-27T09:05:47.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v1.1.2","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v1.1.2"},{"name":"v1.1.1","sha":"3097163d22676254e3230185fa16e56db1a5a339","kind":"commit","published_at":"2022-10-26T16:12:32.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v1.1.1","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v1.1.1"},{"name":"v1.1.0","sha":"43330c9b57b5cb5f8410a9dc52db04e247a26a26","kind":"commit","published_at":"2022-10-26T15:42:28.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v1.1.0","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v1.1.0"},{"name":"v1.0.1","sha":"8a7204dddffa8df97988fb1a31447487c9feb310","kind":"commit","published_at":"2022-05-31T14:31:00.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v1.0.1","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v1.0.1"},{"name":"v1.0.0","sha":"e578c8fee56b6785d4ec738f3e7cdd5822be78cd","kind":"commit","published_at":"2022-05-25T15:33:33.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v1.0.0","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v1.0.0"}]},"repo_metadata_updated_at":"2023-03-22T07:28:19.273Z","dependent_packages_count":0,"downloads":null,"downloads_period":null,"dependent_repos_count":0,"rankings":{"downloads":null,"dependent_repos_count":34.025455452957324,"dependent_packages_count":51.17544297479411,"stargazers_count":47.30721237833791,"forks_count":54.185175942101324,"average":46.67332168704767},"purl":"pkg:conda/molearn","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/conda/molearn","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/conda/molearn","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/conda/molearn/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2023-08-09T04:42:07.444Z","issues_count":11,"pull_requests_count":0,"avg_time_to_close_issue":2510261.5555555555,"avg_time_to_close_pull_request":null,"issues_closed_count":9,"pull_requests_closed_count":0,"pull_request_authors_count":0,"issue_authors_count":5,"avg_comments_per_issue":3.2727272727272725,"avg_comments_per_pull_request":null,"merged_pull_requests_count":0,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":8,"past_year_pull_requests_count":0,"past_year_avg_time_to_close_issue":799821.0,"past_year_avg_time_to_close_pull_request":null,"past_year_issues_closed_count":6,"past_year_pull_requests_closed_count":0,"past_year_pull_request_authors_count":0,"past_year_issue_authors_count":3,"past_year_avg_comments_per_issue":4.0,"past_year_avg_comments_per_pull_request":null,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":0},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/molearn/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/molearn/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/molearn/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/molearn/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":32634,"full_name":"Degiacomi-Lab/molearn","default_branch":"master","committers":[{"name":"Matteo Degiacomi","email":"degiacom","login":"degiacom","count":128},{"name":"SCM","email":"samuel.musson@durham.ac.uk","login":"SCMusson","count":85},{"name":"Samuel Musson","email":"wppj21@ncc1.clients.dur.ac.uk","login":null,"count":66},{"name":"gwirn","email":"71886945+gwirn","login":"gwirn","count":27},{"name":"Yanchen Zhu","email":"ryankzhu@gmail.com","login":"ryankzhu","count":14},{"name":"rzhu","email":"rzhu@neptune.chem.ed.ac.uk","login":null,"count":5},{"name":"DEGIACOMI","email":"xdzl45@durham.ac.uk","login":null,"count":3},{"name":"Asal Azar","email":"yabiasal@gmail.com","login":"EngAsal","count":1},{"name":"Samuel Musson","email":"wppj21@gpu1.ncc.clients.dur.ac.uk","login":null,"count":1}],"total_commits":330,"total_committers":9,"total_bot_commits":0,"total_bot_committers":0,"mean_commits":36.666666666666664,"dds":0.6121212121212121,"past_year_committers":[{"name":"Yanchen Zhu","email":"ryankzhu@gmail.com","login":"ryankzhu","count":14},{"name":"gwirn","email":"71886945+gwirn","login":"gwirn","count":9},{"name":"rzhu","email":"rzhu@neptune.chem.ed.ac.uk","login":null,"count":5},{"name":"Matteo Degiacomi","email":"degiacom","login":"degiacom","count":4},{"name":"Asal Azar","email":"yabiasal@gmail.com","login":"EngAsal","count":1}],"past_year_total_commits":33,"past_year_total_committers":5,"past_year_total_bot_commits":0,"past_year_total_bot_committers":0,"past_year_mean_commits":6.6,"past_year_dds":0.5757575757575757,"last_synced_at":"2025-08-07T06:09:53.744Z","last_synced_commit":"8f93f95deeb72e54a6295f5a8d7ad75e08a0c0b6","created_at":"2023-03-07T16:49:38.916Z","updated_at":"2025-08-07T06:09:53.764Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-08-20T00:00:08.780Z","repositories_count":5479765,"commits_count":853307492,"contributors_count":31095130,"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":"Degiacomi-Lab/molearn","html_url":"https://github.com/Degiacomi-Lab/molearn","last_synced_at":"2025-08-31T18:23:30.821Z","status":null,"issues_count":12,"pull_requests_count":28,"avg_time_to_close_issue":2252640.6666666665,"avg_time_to_close_pull_request":1601121.0909090908,"issues_closed_count":12,"pull_requests_closed_count":22,"pull_request_authors_count":5,"issue_authors_count":6,"avg_comments_per_issue":3.1666666666666665,"avg_comments_per_pull_request":0.14285714285714285,"merged_pull_requests_count":17,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":0,"past_year_pull_requests_count":18,"past_year_avg_time_to_close_issue":null,"past_year_avg_time_to_close_pull_request":425590.85714285716,"past_year_issues_closed_count":0,"past_year_pull_requests_closed_count":14,"past_year_pull_request_authors_count":4,"past_year_issue_authors_count":0,"past_year_avg_comments_per_issue":null,"past_year_avg_comments_per_pull_request":0.16666666666666666,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":9,"created_at":"2023-05-10T21:42:06.415Z","updated_at":"2025-09-03T03:58:52.448Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/issues","issue_labels_count":{"question":1,"help wanted":1,"bug":1},"pull_request_labels_count":{},"issue_author_associations_count":{"NONE":11},"pull_request_author_associations_count":{"COLLABORATOR":28,"CONTRIBUTOR":9,"NONE":3,"MEMBER":2},"issue_authors":{"RMeli":4,"anandojha":2,"JoaoRodrigues":2,"ryankzhu":2,"ABChh26":1},"pull_request_authors":{"gwirn":18,"EngAsal":12,"SCMusson":5,"ryankzhu":5,"degiacom":2},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-03T00:00:08.273Z","repositories_count":10058116,"issues_count":30985287,"pull_requests_count":93679802,"authors_count":10684821,"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":{},"past_year_pull_request_author_associations_count":{"COLLABORATOR":11,"CONTRIBUTOR":9,"NONE":3,"MEMBER":2},"past_year_issue_authors":{},"past_year_pull_request_authors":{"EngAsal":12,"gwirn":6,"ryankzhu":5,"degiacom":2},"maintainers":[{"login":"gwirn","count":18,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/gwirn"},{"login":"SCMusson","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/SCMusson"},{"login":"ryankzhu","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/ryankzhu"},{"login":"degiacom","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/degiacom"}],"active_maintainers":[{"login":"gwirn","count":6,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/gwirn"},{"login":"ryankzhu","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/ryankzhu"},{"login":"degiacom","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/degiacom"}]},"events":{"total":{"WatchEvent":5,"DeleteEvent":1,"MemberEvent":1,"IssueCommentEvent":2,"PushEvent":27,"PullRequestReviewEvent":1,"PullRequestEvent":16,"ForkEvent":4,"CreateEvent":2},"last_year":{"WatchEvent":5,"DeleteEvent":1,"MemberEvent":1,"IssueCommentEvent":2,"PushEvent":27,"PullRequestReviewEvent":1,"PullRequestEvent":16,"ForkEvent":4,"CreateEvent":2}},"keywords":["machine-learning","molecular-dynamics","molecular-modeling","protein-structure"],"dependencies":[],"score":null,"created_at":"2025-09-04T09:17:42.433Z","updated_at":"2025-10-07T08:04:29.511Z","avatar_url":"https://github.com/Degiacomi-Lab.png","language":"Python","category":"Scientific Software","sub_category":"Peer-reviewed","monthly_downloads":0,"funding_links":[],"readme_doi_urls":["https://doi.org/10.21105/joss.05523"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":[],"project_url":"https://science.ecosyste.ms/api/v1/projects/1017","html_url":"https://science.ecosyste.ms/projects/1017"}