{"id":357035,"url":"https://github.com/Degiacomi-Lab/molearn","last_synced_at":"2026-06-21T21:30:21.081Z","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":"2026-03-26T17:31:24.000Z","size":383367,"stargazers_count":52,"open_issues_count":6,"forks_count":18,"subscribers_count":9,"default_branch":"master","last_synced_at":"2026-06-08T15:06:06.102Z","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,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2018-08-20T08:53:37.000Z","updated_at":"2026-05-29T19:37:36.000Z","dependencies_parsed_at":"2026-03-07T10:01:36.755Z","dependency_job_id":null,"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":286080680,"owners_count":34419350,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-05-26T15:22:16.424Z","status":"online","status_checked_at":"2026-06-16T02:00:06.860Z","response_time":126,"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":"2026-03-28T01:13:42.152Z","created_at":"2022-10-03T16:06:13.166Z","updated_at":"2026-03-28T01:28:08.885Z","registry_url":"https://anaconda.org/conda-forge/molearn","install_command":"conda install -c conda-forge molearn","documentation_url":null,"metadata":{},"repo_metadata":{"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":"2025-10-27T19:14:40.000Z","size":383170,"stargazers_count":47,"open_issues_count":3,"forks_count":15,"subscribers_count":8,"default_branch":"master","last_synced_at":"2025-10-29T02:21:32.461Z","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,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":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":281584979,"owners_count":26526171,"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":"2025-10-29T02:00:06.901Z","response_time":59,"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":"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"},"tags":[{"name":"v2.0.3","sha":"f0254ff6ac5e0eb90ecc7fb45a0c3a409930d2e1","kind":"commit","published_at":"2023-08-25T15:43:54.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v2.0.3","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v2.0.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v2.0.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.3/manifests"},{"name":"v2.0.2","sha":"7509c74fca22b8a3f17f228655b21ec7df46f39f","kind":"commit","published_at":"2023-07-24T16:54:48.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v2.0.2","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v2.0.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v2.0.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.2/manifests"},{"name":"v2.0.1","sha":"cc01054c202d8e97bcdeef2457c90fbc1defed10","kind":"commit","published_at":"2023-05-16T14:11:28.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v2.0.1","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v2.0.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v2.0.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.1/manifests"},{"name":"v2.0.0","sha":"c4e802815a6987a6ca13722056e286b955cd58a0","kind":"commit","published_at":"2023-05-15T13:44:59.000Z","download_url":"https://codeload.github.com/Degiacomi-Lab/molearn/tar.gz/v2.0.0","html_url":"https://github.com/Degiacomi-Lab/molearn/releases/tag/v2.0.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v2.0.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v2.0.0/manifests"},{"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","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v1.1.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.3/manifests"},{"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","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v1.1.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.2/manifests"},{"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","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v1.1.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.1/manifests"},{"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","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v1.1.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.1.0/manifests"},{"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","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v1.0.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.0.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.0.1/manifests"},{"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","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/Degiacomi-Lab/molearn@v1.0.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.0.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/tags/v1.0.0/manifests"}]},"repo_metadata_updated_at":"2026-03-28T01:28:08.851Z","dependent_packages_count":0,"downloads":26198,"downloads_period":"total","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?repository_url=https://conda-forge.org","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":"2025-10-03T20:01:47.858Z","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,"issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/Degiacomi-Lab%2Fmolearn/issues","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":"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"},{"login":"gwirn","count":2,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/gwirn"}]},"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","latest_version_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/molearn/latest_version","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","codemeta_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/molearn/codemeta","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":13549,"github":"conda-forge","metadata":{"kind":"conda-forge","key":"CondaForge","api":"https://conda.anaconda.org","funded_packages_count":2269},"icon_url":"https://github.com/conda-forge.png","created_at":"2022-10-03T15:37:08.743Z","updated_at":"2026-06-10T05:18:51.687Z","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","total_commits":362,"total_committers":10,"total_bot_commits":0,"total_bot_committers":0,"mean_commits":36.2,"dds":0.6436464088397791,"past_year_total_commits":32,"past_year_total_committers":3,"past_year_total_bot_commits":0,"past_year_total_bot_committers":0,"past_year_mean_commits":10.666666666666666,"past_year_dds":0.3125,"last_synced_at":"2026-06-18T20:03:26.513Z","last_synced_commit":"b743bbec4ced2c2498ea0dec2e20b6c483fd8426","created_at":"2023-03-07T16:49:38.916Z","updated_at":"2026-06-18T20:02:48.313Z","committers":[{"name":"Matteo Degiacomi","email":"degiacom","login":"degiacom","count":129},{"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":"Yanchen Zhu","email":"ryankzhu@gmail.com","login":"ryankzhu","count":37},{"name":"gwirn","email":"71886945+gwirn","login":"gwirn","count":27},{"name":"Alexandros Angeli","email":"alexandrosangeli@gmail.com","login":"alexandrosangeli","count":8},{"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}],"past_year_committers":[{"name":"Yanchen Zhu","email":"ryankzhu@gmail.com","login":"ryankzhu","count":22},{"name":"Alexandros Angeli","email":"alexandrosangeli@gmail.com","login":"alexandrosangeli","count":8},{"name":"Matteo Degiacomi","email":"degiacom","login":"degiacom","count":2}],"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":"2026-06-20T00:00:10.001Z","repositories_count":6264769,"commits_count":874946857,"contributors_count":35085186,"owners_count":1169252,"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":{"table":{"full_name":"Degiacomi-Lab/molearn","html_url":"https://github.com/Degiacomi-Lab/molearn","last_synced_at":"2026-03-27T03:03:37.053Z","status":"active","issues_count":14,"pull_requests_count":50,"avg_time_to_close_issue":2424252.4545454546,"avg_time_to_close_pull_request":1580262.825,"issues_closed_count":11,"pull_requests_closed_count":40,"pull_request_authors_count":6,"issue_authors_count":6,"avg_comments_per_issue":3.2142857142857144,"avg_comments_per_pull_request":0.12,"merged_pull_requests_count":33,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":3,"past_year_pull_requests_count":15,"past_year_avg_time_to_close_issue":null,"past_year_avg_time_to_close_pull_request":21144.88888888889,"past_year_issues_closed_count":0,"past_year_pull_requests_closed_count":9,"past_year_pull_request_authors_count":4,"past_year_issue_authors_count":1,"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":7,"created_at":"2023-05-10T21:42:06.415Z","updated_at":"2026-03-27T03:03:37.054Z","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":{"table":{"help wanted":1,"question":1,"enhancement":1,"bug":1}},"pull_request_labels_count":{"table":{}},"issue_author_associations_count":{"table":{"NONE":11,"COLLABORATOR":3}},"pull_request_author_associations_count":{"table":{"COLLABORATOR":35,"CONTRIBUTOR":9,"MEMBER":3,"NONE":3}},"issue_authors":{"table":{"RMeli":4,"alexandrosangeli":3,"anandojha":2,"JoaoRodrigues":2,"ryankzhu":2,"ABChh26":1}},"pull_request_authors":{"table":{"gwirn":18,"EngAsal":12,"alexandrosangeli":7,"SCMusson":5,"ryankzhu":5,"degiacom":3}},"host":{"table":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2026-06-16T00:00:20.494Z","repositories_count":14812300,"issues_count":33158181,"pull_requests_count":109480561,"authors_count":11308325,"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":{"table":{"enhancement":1}},"past_year_pull_request_labels_count":{"table":{}},"past_year_issue_author_associations_count":{"table":{"COLLABORATOR":3}},"past_year_pull_request_author_associations_count":{"table":{"COLLABORATOR":8,"MEMBER":1}},"past_year_issue_authors":{"table":{"alexandrosangeli":3}},"past_year_pull_request_authors":{"table":{"alexandrosangeli":7,"degiacom":1,"ryankzhu":1}},"maintainers":[{"table":{"login":"gwirn","count":18,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/gwirn"}},{"table":{"login":"alexandrosangeli","count":10,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/alexandrosangeli"}},{"table":{"login":"SCMusson","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/SCMusson"}},{"table":{"login":"ryankzhu","count":5,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/ryankzhu"}},{"table":{"login":"degiacom","count":3,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/degiacom"}}],"active_maintainers":[{"table":{"login":"alexandrosangeli","count":10,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/alexandrosangeli"}},{"table":{"login":"degiacom","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/degiacom"}},{"table":{"login":"ryankzhu","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/ryankzhu"}}]}},"events":{"total":{"DeleteEvent":3,"MemberEvent":1,"PullRequestEvent":18,"ForkEvent":4,"IssuesEvent":1,"WatchEvent":7,"IssueCommentEvent":4,"PushEvent":44,"PullRequestReviewEvent":1,"CreateEvent":5},"last_year":{"DeleteEvent":2,"PullRequestEvent":2,"IssuesEvent":1,"WatchEvent":2,"IssueCommentEvent":2,"PushEvent":17,"CreateEvent":3}},"keywords":["machine-learning","molecular-dynamics","molecular-modeling","protein-structure"],"dependencies":[{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2026-03-07T10:01:36.361Z","updated_at":"2026-03-07T10:01:36.361Z","repository_link":"https://github.com/Degiacomi-Lab/molearn/blob/master/setup.py","dependencies":[{"id":25833127709,"package_name":"numpy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"docs/requirements.txt","sha":null,"kind":"manifest","created_at":"2026-03-07T10:01:36.307Z","updated_at":"2026-03-07T10:01:36.307Z","repository_link":"https://github.com/Degiacomi-Lab/molearn/blob/master/docs/requirements.txt","dependencies":[{"id":25833127696,"package_name":"numpy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":25833127697,"package_name":"pandas","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":25833127698,"package_name":"scipy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/draft-pdf.yml","sha":null,"kind":"manifest","created_at":"2026-03-07T10:01:32.133Z","updated_at":"2026-03-07T10:01:32.133Z","repository_link":"https://github.com/Degiacomi-Lab/molearn/blob/master/.github/workflows/draft-pdf.yml","dependencies":[{"id":25833126976,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":25833127014,"package_name":"openjournals/openjournals-draft-action","ecosystem":"actions","requirements":"master","direct":true,"kind":"composite","optional":false},{"id":25833127047,"package_name":"actions/upload-artifact","ecosystem":"actions","requirements":"v4","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/tests.yml","sha":null,"kind":"manifest","created_at":"2026-03-07T10:01:32.676Z","updated_at":"2026-03-07T10:01:32.676Z","repository_link":"https://github.com/Degiacomi-Lab/molearn/blob/master/.github/workflows/tests.yml","dependencies":[{"id":25833127107,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v4","direct":true,"kind":"composite","optional":false},{"id":25833127108,"package_name":"conda-incubator/setup-miniconda","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"conda","filepath":"environment.yml","sha":null,"kind":"manifest","created_at":"2026-03-07T10:01:32.964Z","updated_at":"2026-03-07T10:01:32.964Z","repository_link":"https://github.com/Degiacomi-Lab/molearn/blob/master/environment.yml","dependencies":[{"id":25833127114,"package_name":"python","ecosystem":"conda","requirements":"3.11","direct":true,"kind":"runtime","optional":false},{"id":25833127182,"package_name":"pip","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127211,"package_name":"numpy","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127224,"package_name":"mdanalysis","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127249,"package_name":"modeller","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127351,"package_name":"cctbx","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127364,"package_name":"pandas","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127369,"package_name":"scipy","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127458,"package_name":"pytorch-cuda","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127494,"package_name":"biobox","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127546,"package_name":"openmm","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127585,"package_name":"ipywidgets","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127605,"package_name":"plotly","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127627,"package_name":"nglview","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127628,"package_name":"openmmtorchplugin","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":25833127629,"package_name":"mdtraj","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false}]}],"score":16.53646645449806,"created_at":"2025-04-11T10:18:42.279Z","updated_at":"2026-06-21T21:30:21.081Z","avatar_url":"https://github.com/Degiacomi-Lab.png","language":"Python","codemeta":null,"publiccode":null,"project_url":"https://summary.ecosyste.ms/api/v1/projects/357035","html_url":"https://summary.ecosyste.ms/projects/357035"}