{"id":28279,"name":"automated-lysozyme-water-forcefields-gromacs","description":"Script developed to run the commands of the \"Lysozyme in Water\" tutorial in gromacs in different force fields at once","url":"https://github.com/brendaferrari/automated-lysozyme-water-forcefields-gromacs","last_synced_at":"2025-09-05T03:57:43.945Z","repository":{"id":124144671,"uuid":"375783218","full_name":"brendaferrari/automated-lysozyme-water-forcefields-GROMACS","owner":"brendaferrari","description":"Script developed to run the commands of the \"Lysozyme in Water\" tutorial in gromacs in different force fields at once","archived":false,"fork":false,"pushed_at":"2023-02-03T17:22:37.000Z","size":35,"stargazers_count":3,"open_issues_count":0,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-04-13T16:31:32.547Z","etag":null,"topics":["automated","gromacs","lysozyme","water"],"latest_commit_sha":null,"homepage":"","language":"Shell","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/brendaferrari.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":"CITATION.cff","codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2021-06-10T17:48:09.000Z","updated_at":"2024-05-08T05:56:21.000Z","dependencies_parsed_at":null,"dependency_job_id":"5a787eea-b824-42d4-aec6-d173d1c2ff9c","html_url":"https://github.com/brendaferrari/automated-lysozyme-water-forcefields-GROMACS","commit_stats":{"total_commits":3,"total_committers":2,"mean_commits":1.5,"dds":"0.33333333333333337","last_synced_commit":"5206c190679a917b132baaa96049e9d675a78393"},"previous_names":[],"tags_count":1,"template":false,"template_full_name":null,"purl":"pkg:github/brendaferrari/automated-lysozyme-water-forcefields-GROMACS","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/brendaferrari","download_url":"https://codeload.github.com/brendaferrari/automated-lysozyme-water-forcefields-GROMACS/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273709019,"owners_count":25153733,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-09-05T02:00:09.113Z","response_time":402,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"owner":{"login":"brendaferrari","name":"Brenda Ferrari","uuid":"66972292","kind":"user","description":"Chemistry PhD student - Python and Machine Learning student","email":"","website":null,"location":null,"twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/66972292?u=70d74d13460d2d3f5f0b3190a538a630aa3b59d7\u0026v=4","repositories_count":6,"last_synced_at":"2023-03-07T20:50:42.616Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/brendaferrari","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-17T17:11:17.448Z","updated_at":"2023-03-07T20:50:42.624Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/brendaferrari","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/brendaferrari/repositories"},"packages":[],"commits":{"id":1329258,"full_name":"brendaferrari/automated-lysozyme-water-forcefields-GROMACS","default_branch":"master","committers":[{"name":"brendaferrari","email":"brendafferrari@gmail.com","login":null,"count":2},{"name":"Brenda Ferrari","email":"66972292+brendaferrari","login":"brendaferrari","count":1}],"total_commits":3,"total_committers":2,"total_bot_commits":0,"total_bot_committers":0,"mean_commits":1.5,"dds":0.33333333333333337,"past_year_committers":[{"name":"Brenda Ferrari","email":"66972292+brendaferrari","login":"brendaferrari","count":1}],"past_year_total_commits":1,"past_year_total_committers":1,"past_year_total_bot_commits":0,"past_year_total_bot_committers":0,"past_year_mean_commits":1.0,"past_year_dds":0.0,"last_synced_at":"2024-01-28T13:12:20.233Z","last_synced_commit":"5206c190679a917b132baaa96049e9d675a78393","created_at":"2023-09-11T16:41:17.773Z","updated_at":"2024-01-28T13:12:20.234Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-05T00:00:10.343Z","repositories_count":5480019,"commits_count":853389012,"contributors_count":31098138,"owners_count":906558,"icon_url":"https://github.com/github.png","host_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories"}},"issues_stats":{"full_name":"brendaferrari/automated-lysozyme-water-forcefields-GROMACS","html_url":"https://github.com/brendaferrari/automated-lysozyme-water-forcefields-GROMACS","last_synced_at":"2024-01-28T13:12:00.074Z","status":"error","issues_count":0,"pull_requests_count":0,"avg_time_to_close_issue":null,"avg_time_to_close_pull_request":null,"issues_closed_count":0,"pull_requests_closed_count":0,"pull_request_authors_count":0,"issue_authors_count":0,"avg_comments_per_issue":null,"avg_comments_per_pull_request":null,"merged_pull_requests_count":0,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":0,"past_year_pull_requests_count":0,"past_year_avg_time_to_close_issue":null,"past_year_avg_time_to_close_pull_request":null,"past_year_issues_closed_count":0,"past_year_pull_requests_closed_count":0,"past_year_pull_request_authors_count":0,"past_year_issue_authors_count":0,"past_year_avg_comments_per_issue":null,"past_year_avg_comments_per_pull_request":null,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":0,"past_year_merged_pull_requests_count":0,"created_at":"2023-09-11T16:41:18.432Z","updated_at":"2024-01-28T13:12:00.074Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/brendaferrari%2Fautomated-lysozyme-water-forcefields-GROMACS/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":"2025-09-05T00:00:10.444Z","repositories_count":10085138,"issues_count":31276860,"pull_requests_count":96331432,"authors_count":10695053,"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":["automated","gromacs","lysozyme","water"],"dependencies":[],"score":1.791759469228055,"created_at":"2025-09-04T15:51:00.687Z","updated_at":"2025-10-07T08:12:27.039Z","avatar_url":"https://github.com/brendaferrari.png","language":"Shell","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/28279","html_url":"https://science.ecosyste.ms/projects/28279","bibtex_url":"https://science.ecosyste.ms/projects/28279/export.bibtex","apalike_url":"https://science.ecosyste.ms/projects/28279/export.apalike"}