{"id":177651,"name":null,"description":" Chemprop benchmarking scripts and data for v1","url":"https://github.com/chemprop/chemprop_benchmark","last_synced_at":"2025-09-09T23:49:15.974Z","repository":{"id":183044950,"uuid":"666029573","full_name":"chemprop/chemprop_benchmark","owner":"chemprop","description":" Chemprop benchmarking scripts and data for v1","archived":false,"fork":false,"pushed_at":"2024-06-04T13:47:43.000Z","size":118,"stargazers_count":26,"open_issues_count":1,"forks_count":6,"subscribers_count":5,"default_branch":"main","last_synced_at":"2025-04-28T06:37:04.269Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"","language":"Shell","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/chemprop.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2023-07-13T14:41:30.000Z","updated_at":"2025-03-19T06:12:10.000Z","dependencies_parsed_at":"2024-06-04T15:15:49.316Z","dependency_job_id":"e73a7801-fec1-4ab3-857c-69a2c4877fe6","html_url":"https://github.com/chemprop/chemprop_benchmark","commit_stats":null,"previous_names":["chemprop/chemprop_benchmark"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/chemprop/chemprop_benchmark","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/chemprop","download_url":"https://codeload.github.com/chemprop/chemprop_benchmark/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":274384818,"owners_count":25275341,"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":"chemprop","name":"chemprop","uuid":"60978260","kind":"organization","description":"Home of the official chemprop project","email":null,"website":null,"location":"MIT","twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/60978260?v=4","repositories_count":1,"last_synced_at":"2023-03-04T04:38:45.978Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/chemprop","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-14T09:38:28.189Z","updated_at":"2023-03-04T04:38:45.989Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/chemprop","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/chemprop/repositories"},"packages":[],"commits":{"id":5135091,"full_name":"chemprop/chemprop_benchmark","default_branch":"master","committers":null,"total_commits":null,"total_committers":null,"total_bot_commits":null,"total_bot_committers":null,"mean_commits":null,"dds":null,"past_year_committers":null,"past_year_total_commits":null,"past_year_total_committers":null,"past_year_total_bot_commits":null,"past_year_total_bot_committers":null,"past_year_mean_commits":null,"past_year_dds":null,"last_synced_at":null,"last_synced_commit":null,"created_at":"2024-11-11T12:14:38.367Z","updated_at":"2024-11-11T12:14:38.367Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-09T00:17:06.873Z","repositories_count":5538470,"commits_count":874768895,"contributors_count":32283701,"owners_count":919061,"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":"chemprop/chemprop_benchmark","html_url":"https://github.com/chemprop/chemprop_benchmark","last_synced_at":"2024-11-11T12:14:58.854Z","status":null,"issues_count":2,"pull_requests_count":3,"avg_time_to_close_issue":7040985.0,"avg_time_to_close_pull_request":284098.6666666667,"issues_closed_count":1,"pull_requests_closed_count":3,"pull_request_authors_count":2,"issue_authors_count":2,"avg_comments_per_issue":0.5,"avg_comments_per_pull_request":1.0,"merged_pull_requests_count":3,"bot_issues_count":0,"bot_pull_requests_count":0,"past_year_issues_count":2,"past_year_pull_requests_count":0,"past_year_avg_time_to_close_issue":7040985.0,"past_year_avg_time_to_close_pull_request":null,"past_year_issues_closed_count":1,"past_year_pull_requests_closed_count":0,"past_year_pull_request_authors_count":0,"past_year_issue_authors_count":2,"past_year_avg_comments_per_issue":0.5,"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":"2024-11-11T12:14:40.066Z","updated_at":"2025-09-01T14:33:55.551Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/chemprop%2Fchemprop_benchmark/issues","issue_labels_count":{},"pull_request_labels_count":{},"issue_author_associations_count":{"NONE":2},"pull_request_author_associations_count":{"CONTRIBUTOR":3},"issue_authors":{"SoodabehGhaffari":1,"Nick-Mul":1},"pull_request_authors":{"hesther":2,"shihchengli":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-04T00:00:25.939Z","repositories_count":10080966,"issues_count":31268296,"pull_requests_count":96067200,"authors_count":10693694,"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":{"WatchEvent":4,"ForkEvent":1},"last_year":{"WatchEvent":4,"ForkEvent":1}},"keywords":[],"dependencies":[{"ecosystem":"pypi","filepath":"environment.yml","sha":null,"kind":"manifest","created_at":"2024-06-04T15:15:48.507Z","updated_at":"2024-06-04T15:15:48.507Z","repository_link":"https://github.com/chemprop/chemprop_benchmark/blob/main/environment.yml","dependencies":[{"id":18406598821,"package_name":"alabaster","ecosystem":"pypi","requirements":"==0.7.12","direct":true,"kind":"runtime","optional":false},{"id":18406598822,"package_name":"babel","ecosystem":"pypi","requirements":"==2.9.0","direct":true,"kind":"runtime","optional":false},{"id":18406598823,"package_name":"chardet","ecosystem":"pypi","requirements":"==4.0.0","direct":true,"kind":"runtime","optional":false},{"id":18406598824,"package_name":"descriptastorus","ecosystem":"pypi","requirements":"==2.3.0.2","direct":true,"kind":"runtime","optional":false},{"id":18406598825,"package_name":"docutils","ecosystem":"pypi","requirements":"==0.16","direct":true,"kind":"runtime","optional":false},{"id":18406598826,"package_name":"idna","ecosystem":"pypi","requirements":"==2.10","direct":true,"kind":"runtime","optional":false},{"id":18406598827,"package_name":"imagesize","ecosystem":"pypi","requirements":"==1.2.0","direct":true,"kind":"runtime","optional":false},{"id":18406598828,"package_name":"mypy-extensions","ecosystem":"pypi","requirements":"==0.4.3","direct":true,"kind":"runtime","optional":false},{"id":18406598829,"package_name":"packaging","ecosystem":"pypi","requirements":"==20.8","direct":true,"kind":"runtime","optional":false},{"id":18406598830,"package_name":"pandas-flavor","ecosystem":"pypi","requirements":"==0.2.0","direct":true,"kind":"runtime","optional":false},{"id":18406598831,"package_name":"pygments","ecosystem":"pypi","requirements":"==2.7.4","direct":true,"kind":"runtime","optional":false},{"id":18406598832,"package_name":"pyqt5-sip","ecosystem":"pypi","requirements":"==4.19.18","direct":true,"kind":"runtime","optional":false},{"id":18406598833,"package_name":"pyqtchart","ecosystem":"pypi","requirements":"==5.12","direct":true,"kind":"runtime","optional":false},{"id":18406598836,"package_name":"pyqtwebengine","ecosystem":"pypi","requirements":"==5.12.1","direct":true,"kind":"runtime","optional":false},{"id":18406598837,"package_name":"rdkit","ecosystem":"pypi","requirements":"==2022.9.5","direct":true,"kind":"runtime","optional":false},{"id":18406598838,"package_name":"requests","ecosystem":"pypi","requirements":"==2.25.1","direct":true,"kind":"runtime","optional":false},{"id":18406598839,"package_name":"scipy","ecosystem":"pypi","requirements":"==1.7.3","direct":true,"kind":"runtime","optional":false},{"id":18406598840,"package_name":"snowballstemmer","ecosystem":"pypi","requirements":"==2.1.0","direct":true,"kind":"runtime","optional":false},{"id":18406598841,"package_name":"sphinx","ecosystem":"pypi","requirements":"==3.4.3","direct":true,"kind":"runtime","optional":false},{"id":18406598842,"package_name":"sphinxcontrib-applehelp","ecosystem":"pypi","requirements":"==1.0.2","direct":true,"kind":"runtime","optional":false},{"id":18406598843,"package_name":"sphinxcontrib-devhelp","ecosystem":"pypi","requirements":"==1.0.2","direct":true,"kind":"runtime","optional":false},{"id":18406598844,"package_name":"sphinxcontrib-htmlhelp","ecosystem":"pypi","requirements":"==1.0.3","direct":true,"kind":"runtime","optional":false},{"id":18406598845,"package_name":"sphinxcontrib-jsmath","ecosystem":"pypi","requirements":"==1.0.1","direct":true,"kind":"runtime","optional":false},{"id":18406598846,"package_name":"sphinxcontrib-qthelp","ecosystem":"pypi","requirements":"==1.0.3","direct":true,"kind":"runtime","optional":false},{"id":18406598847,"package_name":"sphinxcontrib-serializinghtml","ecosystem":"pypi","requirements":"==1.1.4","direct":true,"kind":"runtime","optional":false},{"id":18406598848,"package_name":"torch","ecosystem":"pypi","requirements":"==1.7.1","direct":true,"kind":"runtime","optional":false},{"id":18406598849,"package_name":"typed-argument-parser","ecosystem":"pypi","requirements":"==1.6.1","direct":true,"kind":"runtime","optional":false},{"id":18406598850,"package_name":"typing-extensions","ecosystem":"pypi","requirements":"==3.7.4.2","direct":true,"kind":"runtime","optional":false},{"id":18406598851,"package_name":"typing-inspect","ecosystem":"pypi","requirements":"==0.6.0","direct":true,"kind":"runtime","optional":false},{"id":18406598852,"package_name":"urllib3","ecosystem":"pypi","requirements":"==1.26.3","direct":true,"kind":"runtime","optional":false},{"id":18406598853,"package_name":"xarray","ecosystem":"pypi","requirements":"==0.16.2","direct":true,"kind":"runtime","optional":false}]}],"score":null,"created_at":"2025-09-09T01:48:23.673Z","updated_at":"2025-10-07T08:40:50.357Z","avatar_url":"https://github.com/chemprop.png","language":"Shell","category":null,"sub_category":null,"monthly_downloads":0,"funding_links":[],"readme_doi_urls":["https://doi.org/10.26434/chemrxiv-2023-3zcfl","https://doi.org/10.5281/zenodo.8174267"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":[],"project_url":"https://science.ecosyste.ms/api/v1/projects/177651","html_url":"https://science.ecosyste.ms/projects/177651"}