{"id":25433,"name":"enzyme-reaction-dynamics-tutorial","description":"A QM-MM Tutorial of Enzyme Reaction Dynamics","url":"https://github.com/hopanoid/enzyme-reaction-dynamics-tutorial","last_synced_at":"2025-09-05T02:46:33.365Z","repository":{"id":64273481,"uuid":"572688710","full_name":"hopanoid/Enzyme-Reaction-Dynamics-Tutorial","owner":"hopanoid","description":"A QM-MM Tutorial of Enzyme Reaction Dynamics","archived":false,"fork":false,"pushed_at":"2025-03-25T13:25:45.000Z","size":10430,"stargazers_count":1,"open_issues_count":0,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-04-13T11:05:24.968Z","etag":null,"topics":["ambertools","enzyme-kinetics","enzyme-reactions","md-simulations","nbo","protein-ligand-interactions","qm-mm","terachem","vdd"],"latest_commit_sha":null,"homepage":"https://enzyme-reaction-dynamics-tutorial.readthedocs.io/","language":"Shell","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/hopanoid.png","metadata":{"files":{"readme":"README.rst","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","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":"2022-11-30T20:20:37.000Z","updated_at":"2025-03-25T13:50:52.000Z","dependencies_parsed_at":"2025-04-13T11:15:37.463Z","dependency_job_id":null,"html_url":"https://github.com/hopanoid/Enzyme-Reaction-Dynamics-Tutorial","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":"readthedocs/tutorial-template","purl":"pkg:github/hopanoid/Enzyme-Reaction-Dynamics-Tutorial","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/hopanoid","download_url":"https://codeload.github.com/hopanoid/Enzyme-Reaction-Dynamics-Tutorial/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273703556,"owners_count":25153000,"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":null,"packages":null,"commits":{"message":"Repository syncing started."},"issues_stats":{"full_name":"hopanoid/Enzyme-Reaction-Dynamics-Tutorial","html_url":"https://github.com/hopanoid/Enzyme-Reaction-Dynamics-Tutorial","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":"2025-08-30T21:52:20.439Z","updated_at":"2025-08-30T21:52:20.439Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/hopanoid%2FEnzyme-Reaction-Dynamics-Tutorial/issues","issue_labels_count":{},"pull_request_labels_count":{},"issue_author_associations_count":{},"pull_request_author_associations_count":{"OWNER":1},"issue_authors":{},"pull_request_authors":{"hopanoid":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-05T00:00:10.444Z","repositories_count":10083752,"issues_count":31254324,"pull_requests_count":96222393,"authors_count":10694625,"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":[{"login":"hopanoid","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/hopanoid"}],"active_maintainers":[]},"events":{"total":{"WatchEvent":1,"DeleteEvent":4,"PushEvent":2,"PullRequestEvent":1,"ForkEvent":1},"last_year":{"WatchEvent":1,"DeleteEvent":4,"PushEvent":2,"PullRequestEvent":1,"ForkEvent":1}},"keywords":["ambertools","enzyme-kinetics","enzyme-reactions","md-simulations","nbo","protein-ligand-interactions","qm-mm","terachem","vdd"],"dependencies":[{"ecosystem":"pypi","filepath":"pyproject.toml","sha":null,"kind":"manifest","created_at":"2023-10-12T03:06:17.396Z","updated_at":"2023-10-12T03:06:17.396Z","repository_link":"https://github.com/hopanoid/Enzyme-Reaction-Dynamics-Tutorial/blob/main/pyproject.toml","dependencies":[]},{"ecosystem":"pypi","filepath":"docs/requirements.txt","sha":null,"kind":"manifest","created_at":"2024-02-23T10:44:42.546Z","updated_at":"2024-02-23T10:44:42.546Z","repository_link":"https://github.com/hopanoid/Enzyme-Reaction-Dynamics-Tutorial/blob/main/docs/requirements.txt","dependencies":[{"id":16404164413,"package_name":"sphinx-rtd-theme","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":16404164414,"package_name":"lumache","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]}],"score":null,"created_at":"2025-09-04T15:50:57.415Z","updated_at":"2025-10-07T08:11:35.099Z","avatar_url":"https://github.com/hopanoid.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/25433","html_url":"https://science.ecosyste.ms/projects/25433","bibtex_url":"https://science.ecosyste.ms/projects/25433/export.bibtex","apalike_url":"https://science.ecosyste.ms/projects/25433/export.apalike"}