{"id":81652,"name":null,"description":"Calculation of water/solvent partition coefficients with Gromacs.","url":"https://github.com/a-ws-m/mdpow","last_synced_at":"2025-09-08T22:07:17.154Z","repository":{"id":189207862,"uuid":"680164541","full_name":"a-ws-m/MDPOW","owner":"a-ws-m","description":"Calculation of water/solvent partition coefficients with Gromacs.","archived":false,"fork":true,"pushed_at":"2023-09-20T16:13:17.000Z","size":33850,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":0,"default_branch":"develop","last_synced_at":"2023-09-21T05:13:37.782Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://mdpow.readthedocs.io","language":"Python","has_issues":false,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":"Becksteinlab/MDPOW","license":"gpl-3.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/a-ws-m.png","metadata":{"files":{"readme":"README.rst","changelog":"CHANGES","contributing":null,"funding":null,"license":"COPYING","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null}},"created_at":"2023-08-18T13:51:04.000Z","updated_at":"2023-09-20T15:31:26.000Z","dependencies_parsed_at":"2023-08-18T19:54:14.232Z","dependency_job_id":null,"html_url":"https://github.com/a-ws-m/MDPOW","commit_stats":null,"previous_names":["a-ws-m/mdpow"],"tags_count":0,"template":null,"template_full_name":null,"purl":"pkg:github/a-ws-m/MDPOW","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2FMDPOW","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2FMDPOW/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2FMDPOW/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2FMDPOW/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/a-ws-m","download_url":"https://codeload.github.com/a-ws-m/MDPOW/tar.gz/refs/heads/develop","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2FMDPOW/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":274231551,"owners_count":25245659,"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":"2025-09-08T02:00:09.813Z","response_time":121,"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":"a-ws-m","name":"Alex Moriarty","uuid":"25207558","kind":"user","description":"","email":"","website":null,"location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/25207558?u=1a40a4e13f5b902c6444ee36add0397a2840c7cd\u0026v=4","repositories_count":8,"last_synced_at":"2023-03-06T17:53:40.708Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/a-ws-m","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-16T19:29:25.958Z","updated_at":"2023-03-06T17:53:40.721Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/a-ws-m","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/a-ws-m/repositories"},"packages":[],"commits":{"message":"Repository syncing started."},"issues_stats":{"full_name":"a-ws-m/mdpow","html_url":"https://github.com/a-ws-m/mdpow","last_synced_at":null,"status":null,"issues_count":null,"pull_requests_count":null,"avg_time_to_close_issue":null,"avg_time_to_close_pull_request":null,"issues_closed_count":null,"pull_requests_closed_count":null,"pull_request_authors_count":null,"issue_authors_count":null,"avg_comments_per_issue":null,"avg_comments_per_pull_request":null,"merged_pull_requests_count":null,"bot_issues_count":null,"bot_pull_requests_count":null,"past_year_issues_count":null,"past_year_pull_requests_count":null,"past_year_avg_time_to_close_issue":null,"past_year_avg_time_to_close_pull_request":null,"past_year_issues_closed_count":null,"past_year_pull_requests_closed_count":null,"past_year_pull_request_authors_count":null,"past_year_issue_authors_count":null,"past_year_avg_comments_per_issue":null,"past_year_avg_comments_per_pull_request":null,"past_year_bot_issues_count":null,"past_year_bot_pull_requests_count":null,"past_year_merged_pull_requests_count":null,"created_at":"2025-09-08T22:06:41.183Z","updated_at":"2025-09-08T22:06:41.183Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2Fmdpow","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/a-ws-m%2Fmdpow/issues","issue_labels_count":{},"pull_request_labels_count":{},"issue_author_associations_count":{},"pull_request_author_associations_count":{},"issue_authors":{},"pull_request_authors":{},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-08T00:00:17.013Z","repositories_count":10172784,"issues_count":31935533,"pull_requests_count":100143235,"authors_count":10733238,"icon_url":"https://github.com/github.png","host_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories","owners_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/owners","authors_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors"},"past_year_issue_labels_count":{},"past_year_pull_request_labels_count":{},"past_year_issue_author_associations_count":{},"past_year_pull_request_author_associations_count":{},"past_year_issue_authors":{},"past_year_pull_request_authors":{},"maintainers":[],"active_maintainers":[]},"events":{"total":{},"last_year":{}},"keywords":[],"dependencies":[{"ecosystem":"actions","filepath":".github/workflows/ci.yaml","sha":null,"kind":"manifest","created_at":"2023-08-18T19:54:14.003Z","updated_at":"2023-08-18T19:54:14.003Z","repository_link":"https://github.com/a-ws-m/MDPOW/blob/develop/.github/workflows/ci.yaml","dependencies":[{"id":12789994986,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":12789994987,"package_name":"mamba-org/setup-micromamba","ecosystem":"actions","requirements":"v1","direct":true,"kind":"composite","optional":false},{"id":12789994988,"package_name":"codecov/codecov-action","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"doc/requirements.txt","sha":null,"kind":"manifest","created_at":"2023-08-18T19:54:14.048Z","updated_at":"2023-08-18T19:54:14.048Z","repository_link":"https://github.com/a-ws-m/MDPOW/blob/develop/doc/requirements.txt","dependencies":[{"id":12789994989,"package_name":"six","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994990,"package_name":"numpy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994991,"package_name":"scipy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994992,"package_name":"pandas","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994993,"package_name":"pyyaml","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994994,"package_name":"GromacsWrapper","ecosystem":"pypi","requirements":"\u003e=0.5.1","direct":true,"kind":"runtime","optional":false},{"id":12789994995,"package_name":"alchemlyb","ecosystem":"pypi","requirements":"\u003e=2","direct":true,"kind":"runtime","optional":false},{"id":12789994996,"package_name":"pymbar","ecosystem":"pypi","requirements":"\u003e=4","direct":true,"kind":"runtime","optional":false},{"id":12789994997,"package_name":"mdanalysis","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994998,"package_name":"rdkit","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789994999,"package_name":"seaborn","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995000,"package_name":"matplotlib","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995001,"package_name":"svgutils","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995002,"package_name":"cairosvg","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995003,"package_name":"pypdf","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2023-08-18T19:54:14.123Z","updated_at":"2023-08-18T19:54:14.123Z","repository_link":"https://github.com/a-ws-m/MDPOW/blob/develop/setup.py","dependencies":[{"id":12789995004,"package_name":"numpy","ecosystem":"pypi","requirements":"\u003e=1.6","direct":true,"kind":"runtime","optional":false},{"id":12789995005,"package_name":"scipy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995006,"package_name":"pyyaml","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995007,"package_name":"GromacsWrapper","ecosystem":"pypi","requirements":"\u003e=0.5.1","direct":true,"kind":"runtime","optional":false},{"id":12789995008,"package_name":"numkit","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995009,"package_name":"six","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995010,"package_name":"mdanalysis","ecosystem":"pypi","requirements":"\u003e=2","direct":true,"kind":"runtime","optional":false},{"id":12789995011,"package_name":"alchemlyb","ecosystem":"pypi","requirements":"\u003e=2","direct":true,"kind":"runtime","optional":false},{"id":12789995012,"package_name":"pandas","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995013,"package_name":"pymbar","ecosystem":"pypi","requirements":"\u003e=4","direct":true,"kind":"runtime","optional":false},{"id":12789995014,"package_name":"matplotlib","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995015,"package_name":"seaborn","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995016,"package_name":"rdkit","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995017,"package_name":"svgutils","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995018,"package_name":"cairosvg","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12789995019,"package_name":"pypdf","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]}],"score":null,"created_at":"2025-09-08T21:10:10.628Z","updated_at":"2025-10-07T08:28:37.422Z","avatar_url":"https://github.com/a-ws-m.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":0,"funding_links":[],"readme_doi_urls":[],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":[],"project_url":"https://science.ecosyste.ms/api/v1/projects/81652","html_url":"https://science.ecosyste.ms/projects/81652"}