{"id":180094,"name":null,"description":"A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.","url":"https://github.com/choderalab/openmmtools","last_synced_at":"2025-09-10T00:37:41.267Z","repository":{"id":22086556,"uuid":"25416166","full_name":"choderalab/openmmtools","owner":"choderalab","description":"A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.","archived":false,"fork":false,"pushed_at":"2025-09-05T21:06:41.000Z","size":34729,"stargazers_count":290,"open_issues_count":249,"forks_count":86,"subscribers_count":34,"default_branch":"main","last_synced_at":"2025-09-05T21:30:44.381Z","etag":null,"topics":["alchemical-free-energy-calculations","free-energy-calculations","integrators","markov-chain-monte-carlo","mcmc","molecular-dynamics","molecular-simulations","openmm","python","replica-exchange"],"latest_commit_sha":null,"homepage":"http://openmmtools.readthedocs.io","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/choderalab.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":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":"2014-10-19T02:52:35.000Z","updated_at":"2025-09-05T21:06:11.000Z","dependencies_parsed_at":"2023-02-18T10:00:53.568Z","dependency_job_id":"11f2566d-faa9-4782-9aeb-510d03184dc1","html_url":"https://github.com/choderalab/openmmtools","commit_stats":{"total_commits":1438,"total_committers":39,"mean_commits":36.87179487179487,"dds":0.691933240611961,"last_synced_commit":"6cef59b67327d1a16685304368e87e99a37a441c"},"previous_names":[],"tags_count":58,"template":false,"template_full_name":null,"purl":"pkg:github/choderalab/openmmtools","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/choderalab","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":274390546,"owners_count":25276406,"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":"choderalab","name":"Chodera lab // Memorial Sloan Kettering Cancer Center","uuid":"4217481","kind":"organization","description":"","email":"john.chodera@choderalab.org","website":"http://choderalab.org","location":"Memorial Sloan-Kettering Cancer Center, Manhattan, NY","twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/4217481?v=4","repositories_count":269,"last_synced_at":"2024-04-15T13:43:38.830Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/choderalab","funding_links":[],"total_stars":2197,"followers":137,"following":0,"created_at":"2022-11-05T08:04:39.299Z","updated_at":"2024-04-15T13:44:57.784Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/choderalab","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/choderalab/repositories"},"packages":[{"id":5289572,"name":"openmmtools","ecosystem":"conda","description":"openmmtools is a Python library layer that sits on top of OpenMM to provide access to a variety of useful tools for building full-featured molecular simulation packages.","homepage":"https://github.com/choderalab/openmmtools","licenses":"MIT","normalized_licenses":["MIT"],"repository_url":"https://github.com/choderalab/openmmtools","keywords_array":[],"namespace":null,"versions_count":10,"first_release_published_at":"2021-01-26T14:53:37.000Z","latest_release_published_at":"2022-08-03T17:35:40.000Z","latest_release_number":"0.21.5","last_synced_at":"2025-09-05T21:57:04.009Z","created_at":"2022-10-03T15:47:46.648Z","updated_at":"2025-09-06T17:19:50.139Z","registry_url":"https://anaconda.org/conda-forge/openmmtools","install_command":"conda install -c conda-forge openmmtools","documentation_url":null,"metadata":{},"repo_metadata":{"id":22086556,"uuid":"25416166","full_name":"choderalab/openmmtools","owner":"choderalab","description":"A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.","archived":false,"fork":false,"pushed_at":"2025-09-05T21:06:41.000Z","size":34729,"stargazers_count":290,"open_issues_count":249,"forks_count":86,"subscribers_count":34,"default_branch":"main","last_synced_at":"2025-09-05T21:30:44.381Z","etag":null,"topics":["alchemical-free-energy-calculations","free-energy-calculations","integrators","markov-chain-monte-carlo","mcmc","molecular-dynamics","molecular-simulations","openmm","python","replica-exchange"],"latest_commit_sha":null,"homepage":"http://openmmtools.readthedocs.io","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/choderalab.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":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":"2014-10-19T02:52:35.000Z","updated_at":"2025-09-05T21:06:11.000Z","dependencies_parsed_at":"2023-02-18T10:00:53.568Z","dependency_job_id":"11f2566d-faa9-4782-9aeb-510d03184dc1","html_url":"https://github.com/choderalab/openmmtools","commit_stats":{"total_commits":1438,"total_committers":39,"mean_commits":36.87179487179487,"dds":0.691933240611961,"last_synced_commit":"6cef59b67327d1a16685304368e87e99a37a441c"},"previous_names":[],"tags_count":58,"template":false,"template_full_name":null,"purl":"pkg:github/choderalab/openmmtools","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/choderalab","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273933940,"owners_count":25193603,"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":"2025-09-06T02:00:13.247Z","response_time":2576,"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":"choderalab","name":"Chodera lab // Memorial Sloan Kettering Cancer Center","uuid":"4217481","kind":"organization","description":"","email":"john.chodera@choderalab.org","website":"http://choderalab.org","location":"Memorial Sloan-Kettering Cancer Center, Manhattan, NY","twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/4217481?v=4","repositories_count":269,"last_synced_at":"2024-04-15T13:43:38.830Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/choderalab","funding_links":[],"total_stars":2197,"followers":137,"following":0,"created_at":"2022-11-05T08:04:39.299Z","updated_at":"2024-04-15T13:44:57.784Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/choderalab","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/choderalab/repositories"},"tags":[{"name":"0.25.2","sha":"271f0b0c7aa4d53b0e09ad18df4297f3ad005148","kind":"commit","published_at":"2025-09-05T21:06:07.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.25.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.25.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.25.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.25.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.25.2/manifests"},{"name":"0.25.1","sha":"c2f3e70e1a5f09957c0dd146cff00a6c44f140dd","kind":"commit","published_at":"2025-08-08T21:52:06.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.25.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.25.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.25.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.25.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.25.1/manifests"},{"name":"0.25.0","sha":"59c14bfc147a4128eebd61f75927875c2b9976ad","kind":"commit","published_at":"2025-06-06T18:55:43.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.25.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.25.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.25.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.25.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.25.0/manifests"},{"name":"0.24.2","sha":"6a9d5d36907ce1326fe2c249fa5cd4ac325ae272","kind":"commit","published_at":"2025-04-30T20:18:53.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.24.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.24.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.24.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.24.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.24.2/manifests"},{"name":"0.24.1","sha":"9043f8a8de97e716672933b64b902c9531a8b0e5","kind":"commit","published_at":"2025-01-31T19:48:39.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.24.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.24.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.24.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.24.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.24.1/manifests"},{"name":"0.24.0","sha":"f3f355a3bc4dc18f5aff68f6ca7f0808ae18b138","kind":"commit","published_at":"2024-11-18T18:38:26.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.24.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.24.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.24.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.24.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.24.0/manifests"},{"name":"0.23.1","sha":"b379af3aa61750cabc5cfe293928bac4bfcb509b","kind":"commit","published_at":"2023-06-30T20:27:50.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.23.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.23.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.23.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.23.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.23.1/manifests"},{"name":"0.23.0","sha":"ddfa04356d556878d034bb8c0958420ed280c563","kind":"commit","published_at":"2023-06-12T18:55:47.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.23.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.23.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.23.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.23.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.23.0/manifests"},{"name":"0.22.1","sha":"bcbf0f6c07c135224cd892558722e70ad2137395","kind":"commit","published_at":"2023-04-18T21:01:56.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.22.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.22.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.22.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.22.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.22.1/manifests"},{"name":"0.22.0","sha":"47807bba462a7ac91a7da3075587629bb647fc6a","kind":"commit","published_at":"2023-04-11T17:57:25.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.22.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.22.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.22.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.22.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.22.0/manifests"},{"name":"0.21.5","sha":"e7e5847a677a9ecc83fcb284d0f120960416353f","kind":"commit","published_at":"2022-08-03T12:53:01.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.21.5","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.21.5","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.21.5","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.5","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.5/manifests"},{"name":"0.21.4","sha":"47f59f71aefe574b477a1a4949bd2ef653148c9e","kind":"commit","published_at":"2022-06-08T18:21:39.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.21.4","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.21.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.21.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.4/manifests"},{"name":"0.21.3","sha":"870d81ab5a751f666bbbc6a2b3d6a264c36f0e5f","kind":"commit","published_at":"2022-04-15T19:27:01.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.21.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.21.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.21.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.3/manifests"},{"name":"0.21.2","sha":"4d437c2ca3eea82b04088fb7263054c6d26e9bd2","kind":"commit","published_at":"2022-02-24T16:41:02.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.21.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.21.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.21.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.2/manifests"},{"name":"0.21.1","sha":"7e6926f4719a331d06a66bc26be41d77779c3029","kind":"commit","published_at":"2022-02-14T23:40:56.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.21.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.21.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.21.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.1/manifests"},{"name":"0.21.0","sha":"b233203bc8192eed30c3232d560e97047657fc9f","kind":"commit","published_at":"2022-02-04T23:59:31.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.21.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.21.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.21.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.21.0/manifests"},{"name":"0.20.3","sha":"321b998fc5977a1f8893e4ad5700b1b3aef6101c","kind":"tag","published_at":"2021-03-26T14:20:04.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.20.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.20.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.20.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.3/manifests"},{"name":"0.20.2","sha":"3f2cfc0d9ea5ee69b270b1f7705867548f8ca037","kind":"tag","published_at":"2021-03-17T16:52:28.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.20.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.20.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.20.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.2/manifests"},{"name":"0.20.1","sha":"fa9e7011bc37c66f9108538769a61b5257a07bc0","kind":"tag","published_at":"2021-03-16T21:53:07.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.20.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.20.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.20.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.1/manifests"},{"name":"0.20.0","sha":"d4097719d49437c87ad8ca7136d74791fe762dcf","kind":"commit","published_at":"2020-05-11T06:36:35.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.20.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.20.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.20.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.20.0/manifests"},{"name":"0.19.0","sha":"82f14f00c97b9a7df6e820ef1f7dc74f71836775","kind":"commit","published_at":"2019-11-08T10:21:52.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.19.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.19.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.19.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.19.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.19.0/manifests"},{"name":"0.18.3","sha":"6cf88cc77e08ca97c032a082b2e6de0c77feaa2b","kind":"commit","published_at":"2019-07-21T18:35:06.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.18.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.18.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.18.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.3/manifests"},{"name":"0.18.2","sha":"6b31737811a527f9c327ba32d22939aca14b7ec3","kind":"commit","published_at":"2019-05-30T11:49:57.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.18.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.18.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.18.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.2/manifests"},{"name":"0.18.1","sha":"cb272b899dbe77e7b63b814c58f430a6aadb231d","kind":"commit","published_at":"2019-04-13T03:46:14.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.18.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.18.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.18.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.1/manifests"},{"name":"0.18.0","sha":"3707920d82a7af6bbf7d9669dd5e022170e1b4ed","kind":"commit","published_at":"2019-02-05T03:50:43.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.18.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.18.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.18.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.18.0/manifests"},{"name":"0.17.0","sha":"384c555808e3c2b0ba928df62439f3a4753c8dbd","kind":"commit","published_at":"2019-01-24T21:44:50.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.17.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.17.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.17.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.17.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.17.0/manifests"},{"name":"0.16.0","sha":"5294fb635f52e088249d79170c0704b7a80e8a71","kind":"commit","published_at":"2018-10-17T17:35:55.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.16.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.16.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.16.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.16.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.16.0/manifests"},{"name":"0.15.0","sha":"acc22e996551bb48a6b747593309c61410de575b","kind":"commit","published_at":"2018-03-23T02:38:24.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.15.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.15.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.15.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.15.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.15.0/manifests"},{"name":"0.14.0","sha":"20882011af62ec35cad2341e1c792db59ac057bc","kind":"commit","published_at":"2018-01-26T14:46:14.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.14.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.14.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.14.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.14.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.14.0/manifests"},{"name":"0.13.4","sha":"37c6cc6815fbf3862aa72a9a63e7df5474b8fa4a","kind":"commit","published_at":"2017-11-27T17:02:36.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.13.4","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.13.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.13.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.4/manifests"},{"name":"0.13.3","sha":"72cba4d0ed595bb3e352dbf1edcf227103f1ea98","kind":"commit","published_at":"2017-11-21T12:53:23.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.13.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.13.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.13.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.3/manifests"},{"name":"0.13.2","sha":"a6b42b46de06178fdbf16e0c3dd140215f77c865","kind":"commit","published_at":"2017-10-13T22:57:40.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.13.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.13.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.13.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.2/manifests"},{"name":"0.13.1","sha":"b60674c0d9c451eb78c83edb69d0253360312e57","kind":"commit","published_at":"2017-09-20T20:09:12.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.13.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.13.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.13.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.1/manifests"},{"name":"0.13.0","sha":"38e26b50d955b63fbd0407baa16b32c62947a1f4","kind":"commit","published_at":"2017-08-18T12:38:55.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.13.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.13.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.13.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.13.0/manifests"},{"name":"0.12.1","sha":"76dfbfbef94431b4c7a46c629183814eb13fed40","kind":"commit","published_at":"2017-07-28T20:30:38.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.12.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.12.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.12.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.12.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.12.1/manifests"},{"name":"0.12.0","sha":"22c43f48c91bc5a8177a3fefbb60fc08baf00e56","kind":"commit","published_at":"2017-07-25T19:10:29.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.12.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.12.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.12.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.12.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.12.0/manifests"},{"name":"0.11.2","sha":"2042b00da0347a09411c3c07e71febcfc9319e2e","kind":"commit","published_at":"2017-07-07T15:02:14.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.11.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.11.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.11.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.11.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.11.2/manifests"},{"name":"0.11.1","sha":"d91063164cdfcb1ab3c01729103dd52e8d72b5e5","kind":"commit","published_at":"2017-07-06T17:13:48.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.11.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.11.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.11.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.11.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.11.1/manifests"},{"name":"0.11.0","sha":"ae2c8a795d92b97a2aa02180133b8c1b430913bc","kind":"tag","published_at":"2017-06-20T19:11:10.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.11.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.11.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.11.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.11.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.11.0/manifests"},{"name":"0.10.0","sha":"ddb4b2733b0bc58f75e7533ed09932691edef252","kind":"commit","published_at":"2017-05-26T00:34:30.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.10.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.10.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.10.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.10.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.10.0/manifests"},{"name":"0.9.4","sha":"7ac6eb3021a211222c927c788f6bb4ec3186aa30","kind":"commit","published_at":"2017-05-10T02:08:05.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.9.4","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.9.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.9.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.4/manifests"},{"name":"0.9.3","sha":"dd92d8d2879fb2cb47e8bb342af05836a0a4773a","kind":"commit","published_at":"2017-04-26T15:06:03.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.9.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.9.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.9.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.3/manifests"},{"name":"0.9.2","sha":"674f7ef557e4ec22ace6b60efb2d7198f05d6ce9","kind":"commit","published_at":"2017-04-11T20:39:12.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.9.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.9.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.9.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.2/manifests"},{"name":"0.9.1","sha":"8fc7f3d489309094e693495d732245780335d395","kind":"commit","published_at":"2017-04-06T17:25:26.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.9.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.9.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.9.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.1/manifests"},{"name":"0.9.0","sha":"2dff342c5a96b407eb5b2c37bed78427a4e03d7a","kind":"commit","published_at":"2017-04-03T21:26:53.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.9.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.9.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.9.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.9.0/manifests"},{"name":"0.8.3","sha":"bfe58cfaa60fb72a2df629310bd58a49df296929","kind":"commit","published_at":"2017-01-01T17:55:00.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.8.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.8.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.8.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.3/manifests"},{"name":"0.8.2","sha":"f96b20329aed956c2c9a23f12437d3fa8134e64f","kind":"commit","published_at":"2016-08-31T00:04:20.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.8.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.8.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.8.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.2/manifests"},{"name":"0.8.1","sha":"6c8e11fd1c3cb944066dc53568376999594f2975","kind":"commit","published_at":"2016-08-30T22:28:19.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.8.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.8.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.8.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.1/manifests"},{"name":"0.8.0","sha":"2f656b3deb4dcf1a1200750c305a463b12ac805d","kind":"commit","published_at":"2016-08-04T21:13:29.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.8.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.8.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.8.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.8.0/manifests"},{"name":"0.7.5","sha":"ff65ba5553182097530bf4fcd2a0d371524a0802","kind":"commit","published_at":"2015-10-26T01:27:11.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.7.5","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.7.5","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.7.5","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.5","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.5/manifests"},{"name":"0.7.4","sha":"8e2cf2dfb3fa3a6a1046fa29afdf29817ed98bdb","kind":"commit","published_at":"2015-09-23T21:13:06.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.7.4","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.7.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.7.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.4/manifests"},{"name":"0.7.3","sha":"8ac7a90df723debc1cf1558b346fb8055f19c03d","kind":"commit","published_at":"2015-09-23T18:59:00.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.7.3","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.7.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.7.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.3/manifests"},{"name":"0.7.2","sha":"d98771954e514a075f4d1a35eda634332b5bcbd0","kind":"commit","published_at":"2015-08-25T04:10:18.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.7.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.7.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.7.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.2/manifests"},{"name":"0.7.1","sha":"06f5aeb12b39baa26de7fe24bf72eec413a7f01e","kind":"commit","published_at":"2015-07-06T00:48:05.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.7.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.7.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.7.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.1/manifests"},{"name":"0.7.0","sha":"abf4d2085c03f7f4f4c33d3b4d81445baecf2dd2","kind":"commit","published_at":"2015-06-21T23:59:19.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.7.0","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.7.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.7.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.7.0/manifests"},{"name":"0.6.2","sha":"791baa2566fae9ffba5f6df331b87e570555dd99","kind":"commit","published_at":"2015-01-15T01:28:07.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.6.2","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.6.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.6.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.6.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.6.2/manifests"},{"name":"0.6.1","sha":"b906648f46a0d0bb8fb10670d080f26ad745f01a","kind":"commit","published_at":"2015-01-13T16:50:13.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.6.1","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.6.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.6.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.6.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.6.1/manifests"},{"name":"0.6","sha":"55c090ebba9e5c2893b0aba16b7ef5f2ac006c02","kind":"commit","published_at":"2015-01-13T05:38:21.000Z","download_url":"https://codeload.github.com/choderalab/openmmtools/tar.gz/0.6","html_url":"https://github.com/choderalab/openmmtools/releases/tag/0.6","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/choderalab/openmmtools@0.6","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.6","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/tags/0.6/manifests"}]},"repo_metadata_updated_at":"2025-09-06T17:19:50.138Z","dependent_packages_count":9,"downloads":null,"downloads_period":null,"dependent_repos_count":15,"rankings":{"downloads":null,"dependent_repos_count":9.187085183891412,"dependent_packages_count":6.452417785318628,"stargazers_count":28.13014621488098,"forks_count":21.852387843704776,"docker_downloads_count":null,"average":16.40550925694895},"purl":"pkg:conda/openmmtools","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/conda/openmmtools","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/conda/openmmtools","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/conda/openmmtools/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2025-09-06T05:01:36.120Z","issues_count":103,"pull_requests_count":74,"avg_time_to_close_issue":6068408.972972973,"avg_time_to_close_pull_request":4196742.537037037,"issues_closed_count":37,"pull_requests_closed_count":54,"pull_request_authors_count":17,"issue_authors_count":43,"avg_comments_per_issue":1.7961165048543688,"avg_comments_per_pull_request":2.9864864864864864,"merged_pull_requests_count":46,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":19,"past_year_pull_requests_count":19,"past_year_avg_time_to_close_issue":3945599.714285714,"past_year_avg_time_to_close_pull_request":1076551.9166666667,"past_year_issues_closed_count":7,"past_year_pull_requests_closed_count":12,"past_year_pull_request_authors_count":8,"past_year_issue_authors_count":13,"past_year_avg_comments_per_issue":0.8947368421052632,"past_year_avg_comments_per_pull_request":1.368421052631579,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":12,"issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/issues","maintainers":[{"login":"jchodera","count":7,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/jchodera"},{"login":"dwhswenson","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dwhswenson"},{"login":"dotsdl","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dotsdl"}],"active_maintainers":[]},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openmmtools/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openmmtools/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openmmtools/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/conda-forge.org/packages/openmmtools/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":13420,"github":"conda-forge","metadata":{"kind":"conda-forge","key":"CondaForge","api":"https://conda.anaconda.org","funded_packages_count":2190},"icon_url":"https://github.com/conda-forge.png","created_at":"2022-10-03T15:37:08.743Z","updated_at":"2025-09-09T06:53:47.128Z","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":28413,"full_name":"choderalab/openmmtools","default_branch":"main","committers":[{"name":"Andrea Rizzi","email":"andrrizzi@gmail.com","login":null,"count":443},{"name":"John Chodera","email":"john.chodera@choderalab.org","login":null,"count":239},{"name":"John Chodera (MSKCC)","email":"choderaj@mskcc.org","login":null,"count":234},{"name":"Levi Naden","email":"levi.naden@choderalab.org","login":"Lnaden","count":115},{"name":"pgrinaway","email":"pgrinaway@gmail.com","login":null,"count":51},{"name":"kyleabeauchamp","email":"kyleabeauchamp@gmail.com","login":null,"count":44},{"name":"adw62","email":"38112687+adw62","login":"adw62","count":39},{"name":"Josh Fass","email":"jf694@cornell.edu","login":null,"count":29},{"name":"Iván Pulido","email":"ivanpulido@protonmail.com","login":null,"count":27},{"name":"Mike Henry","email":"11765982+mikemhenry","login":"mikemhenry","count":26},{"name":"Bas Rustenburg","email":"bas.rustenburg@choderalab.org","login":null,"count":23},{"name":"Andrea Rizzi","email":"andrea.rizzi@choderalab.org","login":null,"count":21},{"name":"Iván Pulido","email":"2949729+ijpulidos","login":"ijpulidos","count":17},{"name":"Gregory Ross","email":"gregoryross.uk@gmail.com","login":null,"count":16},{"name":"Andreas Krämer","email":"kraemer.research@gmail.com","login":null,"count":15},{"name":"hannahbrucemacdonald","email":"hannah.brucemacdonald@choderalab.org","login":null,"count":15},{"name":"Josh Fass","email":"maxentile","login":"maxentile","count":12},{"name":"Chodera","email":"choderaj@mski1776.mskcc.root.mskcc.org","login":null,"count":10},{"name":"Jaime Rodríguez-Guerra","email":"jaimergp","login":"jaimergp","count":10},{"name":"David W.H. Swenson","email":"dwhs@hyperblazer.net","login":null,"count":6},{"name":"Andy Simmonett","email":"andy.simmonett@gmail.com","login":null,"count":5},{"name":"dominicrufa","email":"dominic.rufa@gmail.com","login":null,"count":4},{"name":"gregoryross","email":"Gregory A. Ross","login":null,"count":4},{"name":"Ivy Zhang","email":"35546250+zhang-ivy","login":"zhang-ivy","count":4},{"name":"Levi Naden","email":"lnaden@vt.edu","login":null,"count":3},{"name":"Jake Fennick","email":"jake.fennick@gmail.com","login":null,"count":3},{"name":"Bas Rustenburg","email":"bas-rustenburg","login":"bas-rustenburg","count":3},{"name":"Bruce Macdonald","email":"hannahbrucemacdonald@gmail.com","login":null,"count":3},{"name":"Sander Roet","email":"sanderroet@hotmail.com","login":"sroet","count":3},{"name":"Mark J. Williamson","email":"mjw@mjw.name","login":null,"count":3},{"name":"Ana Silveira","email":"silveira@lilac.hpc.private","login":null,"count":2},{"name":"sgill2","email":"samgill@dhcp-204148.bio.uci.edu","login":null,"count":2},{"name":"pgrinaway","email":"win98pro","login":null,"count":1},{"name":"Chodera","email":"choderaj@lski2838.lan","login":null,"count":1},{"name":"dominicrufa","email":"46943710+dominicrufa","login":"dominicrufa","count":1},{"name":"Josh Fass","email":"josh.fass@choderalab.org","login":null,"count":1},{"name":"SimonBoothroyd","email":"simon.boothroyd@hotmail.com","login":null,"count":1},{"name":"John Chodera","email":"jchodera@gmail.com","login":null,"count":1},{"name":"Richard Gowers","email":"richardjgowers+github@gmail.com","login":null,"count":1}],"total_commits":1438,"total_committers":39,"total_bot_commits":0,"total_bot_committers":0,"mean_commits":36.87179487179487,"dds":0.691933240611961,"past_year_committers":[{"name":"Iván Pulido","email":"2949729+ijpulidos","login":"ijpulidos","count":17},{"name":"Mike Henry","email":"11765982+mikemhenry","login":"mikemhenry","count":10},{"name":"David W.H. Swenson","email":"dwhs@hyperblazer.net","login":null,"count":1},{"name":"Richard Gowers","email":"richardjgowers+github@gmail.com","login":null,"count":1}],"past_year_total_commits":29,"past_year_total_committers":4,"past_year_total_bot_commits":0,"past_year_total_bot_committers":0,"past_year_mean_commits":7.25,"past_year_dds":0.4137931034482759,"last_synced_at":"2023-10-26T01:18:20.923Z","last_synced_commit":"6cef59b67327d1a16685304368e87e99a37a441c","created_at":"2023-03-07T16:37:49.710Z","updated_at":"2023-10-26T01:18:20.924Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-06T00:00:13.651Z","repositories_count":5480019,"commits_count":853389126,"contributors_count":31098155,"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":"choderalab/openmmtools","html_url":"https://github.com/choderalab/openmmtools","last_synced_at":"2025-09-07T02:24:09.167Z","status":null,"issues_count":103,"pull_requests_count":75,"avg_time_to_close_issue":6068408.972972973,"avg_time_to_close_pull_request":4196742.537037037,"issues_closed_count":37,"pull_requests_closed_count":54,"pull_request_authors_count":17,"issue_authors_count":43,"avg_comments_per_issue":1.7961165048543688,"avg_comments_per_pull_request":2.9466666666666668,"merged_pull_requests_count":46,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":19,"past_year_pull_requests_count":20,"past_year_avg_time_to_close_issue":3945599.714285714,"past_year_avg_time_to_close_pull_request":1076551.9166666667,"past_year_issues_closed_count":7,"past_year_pull_requests_closed_count":12,"past_year_pull_request_authors_count":8,"past_year_issue_authors_count":13,"past_year_avg_comments_per_issue":0.8947368421052632,"past_year_avg_comments_per_pull_request":1.3,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":12,"created_at":"2023-05-10T20:58:49.837Z","updated_at":"2025-09-07T02:24:09.168Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/choderalab%2Fopenmmtools/issues","issue_labels_count":{":stars: enhancement":11,"low-effort":10,":arrow_up:  high-priority":8,"testing":5,"medium-priority":5,":bug: bug":5,":books: documentation":5,"medium-effort":2,"low-priority":2,"error handling":2,"api-breaking":1,"high-effort":1},"pull_request_labels_count":{":arrow_up:  high-priority":4,":stars: enhancement":4,":bug: bug":2,"low-priority":2,"low-effort":1},"issue_author_associations_count":{"NONE":59,"CONTRIBUTOR":37,"MEMBER":7},"pull_request_author_associations_count":{"CONTRIBUTOR":63,"NONE":10,"MEMBER":1,"COLLABORATOR":1},"issue_authors":{"ijpulidos":19,"IAlibay":11,"jchodera":7,"zhang-ivy":7,"xiki-tempula":7,"mikemhenry":5,"mainguyenanhvu":4,"lucl13":3,"Dan-Burns":3,"yihengwuKP":2,"schuhmc":2,"xlimke":2,"SHervoe-Hansen":1,"felixmusil":1,"chabi-fin":1,"xiaowei-xie2":1,"mpvenkatesh":1,"hsv1472":1,"manglav":1,"dominicrufa":1,"RiesBen":1,"mattwthompson":1,"amin-sagar":1,"BlackPianoCat":1,"gitkol":1,"msuruzhon":1,"FreeSoulIG":1,"LeoFHall":1,"slochower":1,"camattelaer":1,"4doom4":1,"ianmkenney":1,"yongyouhe":1,"peastman":1,"WCCS-DRC":1,"sametz":1,"k2o0r":1,"AnthonyDavolio01":1,"wlai0611":1,"PSMusicalRoc":1,"richardjgowers":1,"smlee99":1,"coparks2012":1},"pull_request_authors":{"ijpulidos":26,"mikemhenry":25,"jfennick":6,"richardjgowers":2,"mattwthompson":2,"ianmkenney":2,"IAlibay":2,"hannahbaumann":1,"RiesBen":1,"dwhswenson":1,"anyschaefer":1,"adw62":1,"schuhmc":1,"yongyouhe":1,"dotsdl":1,"ethanholz":1,"dominicrufa":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-10T00:00:25.260Z","repositories_count":10198008,"issues_count":32221390,"pull_requests_count":101741075,"authors_count":10741926,"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":{"NONE":14,"CONTRIBUTOR":5},"past_year_pull_request_author_associations_count":{"CONTRIBUTOR":15,"NONE":5},"past_year_issue_authors":{"mainguyenanhvu":4,"IAlibay":2,"ijpulidos":2,"schuhmc":2,"chabi-fin":1,"ianmkenney":1,"manglav":1,"peastman":1,"SHervoe-Hansen":1,"smlee99":1,"WCCS-DRC":1,"xiaowei-xie2":1,"yongyouhe":1},"past_year_pull_request_authors":{"mikemhenry":8,"ijpulidos":5,"ianmkenney":2,"ethanholz":1,"yongyouhe":1,"IAlibay":1,"schuhmc":1,"hannahbaumann":1},"maintainers":[{"login":"jchodera","count":7,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/jchodera"},{"login":"dwhswenson","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dwhswenson"},{"login":"dotsdl","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/dotsdl"}],"active_maintainers":[]},"events":{"total":{"CreateEvent":9,"ReleaseEvent":3,"IssuesEvent":26,"WatchEvent":31,"DeleteEvent":8,"IssueCommentEvent":73,"PushEvent":38,"PullRequestReviewCommentEvent":16,"PullRequestEvent":28,"PullRequestReviewEvent":30,"ForkEvent":12},"last_year":{"CreateEvent":9,"ReleaseEvent":3,"IssuesEvent":26,"WatchEvent":31,"DeleteEvent":8,"IssueCommentEvent":73,"PushEvent":38,"PullRequestReviewCommentEvent":16,"PullRequestEvent":28,"PullRequestReviewEvent":30,"ForkEvent":12}},"keywords":["alchemical-free-energy-calculations","free-energy-calculations","integrators","markov-chain-monte-carlo","mcmc","molecular-dynamics","molecular-simulations","openmm","python","replica-exchange"],"dependencies":[{"ecosystem":"actions","filepath":".github/workflows/CI.yml","sha":null,"kind":"manifest","created_at":"2023-01-14T08:00:11.702Z","updated_at":"2023-01-14T08:00:11.702Z","repository_link":"https://github.com/choderalab/openmmtools/blob/main/.github/workflows/CI.yml","dependencies":[{"id":6893357807,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false},{"id":6893357808,"package_name":"conda-incubator/setup-miniconda","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":6893357809,"package_name":"codecov/codecov-action","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/self-hosted-gpu-test.yml","sha":null,"kind":"manifest","created_at":"2023-01-14T08:00:11.896Z","updated_at":"2023-01-14T08:00:11.896Z","repository_link":"https://github.com/choderalab/openmmtools/blob/main/.github/workflows/self-hosted-gpu-test.yml","dependencies":[{"id":6893358018,"package_name":"aws-actions/configure-aws-credentials","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false},{"id":6893358019,"package_name":"machulav/ec2-github-runner","ecosystem":"actions","requirements":"main","direct":true,"kind":"composite","optional":false},{"id":6893358020,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":6893358021,"package_name":"conda-incubator/setup-miniconda","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":6893358022,"package_name":"codecov/codecov-action","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"conda","filepath":"docs/environment.yml","sha":null,"kind":"manifest","created_at":"2023-01-14T08:00:12.050Z","updated_at":"2023-01-14T08:00:12.050Z","repository_link":"https://github.com/choderalab/openmmtools/blob/main/docs/environment.yml","dependencies":[{"id":6893358051,"package_name":"cython","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358052,"package_name":"libnetcdf","ecosystem":"conda","requirements":"\u003e=4.6.2","direct":true,"kind":"runtime","optional":false},{"id":6893358053,"package_name":"mdtraj","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358054,"package_name":"mpiplus","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358055,"package_name":"netcdf4","ecosystem":"conda","requirements":"\u003e=1.4.2","direct":true,"kind":"runtime","optional":false},{"id":6893358056,"package_name":"numpy","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358057,"package_name":"numpydoc","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358058,"package_name":"openmm","ecosystem":"conda","requirements":"\u003e=7.3","direct":true,"kind":"runtime","optional":false},{"id":6893358059,"package_name":"pymbar","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358060,"package_name":"python","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358061,"package_name":"pyyaml","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358062,"package_name":"scipy","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358063,"package_name":"setuptools","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false},{"id":6893358064,"package_name":"sphinxcontrib-bibtex","ecosystem":"conda","requirements":"","direct":true,"kind":"runtime","optional":false}]}],"score":13.13133104738659,"created_at":"2025-09-09T01:55:01.826Z","updated_at":"2025-10-07T08:41:05.166Z","avatar_url":"https://github.com/choderalab.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":0,"funding_links":[],"readme_doi_urls":["http://dx.doi.org/10.1073/pnas.1106094108"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["molecular-dynamics-simulation","expanded-ensembles","free-energy-perturbation","molecular-design","relative-free-energy","computational-chemistry","mbar","molecular-modeling","chemistry","quantum-chemistry"],"project_url":"https://science.ecosyste.ms/api/v1/projects/180094","html_url":"https://science.ecosyste.ms/projects/180094"}