{"id":37626,"name":"matcalc","description":"A python library for calculating materials properties from the PES","url":"https://github.com/materialsvirtuallab/matcalc","last_synced_at":"2025-09-05T07:31:04.230Z","repository":{"id":183972444,"uuid":"670410006","full_name":"materialsvirtuallab/matcalc","owner":"materialsvirtuallab","description":"A python library for calculating materials properties from the PES","archived":false,"fork":false,"pushed_at":"2025-09-04T02:51:05.000Z","size":234024,"stargazers_count":117,"open_issues_count":3,"forks_count":27,"subscribers_count":7,"default_branch":"main","last_synced_at":"2025-09-04T04:40:55.443Z","etag":null,"topics":["learning","machine","materials","pes","properties"],"latest_commit_sha":null,"homepage":"http://matcalc.ai/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/materialsvirtuallab.png","metadata":{"files":{"readme":"README.md","changelog":"changes.md","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,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2023-07-25T02:04:04.000Z","updated_at":"2025-09-04T02:51:07.000Z","dependencies_parsed_at":"2023-07-26T15:39:53.213Z","dependency_job_id":"cdc0aec0-59c3-4e86-918c-507c3d06013b","html_url":"https://github.com/materialsvirtuallab/matcalc","commit_stats":null,"previous_names":["materialsvirtuallab/matcalc"],"tags_count":19,"template":false,"template_full_name":null,"purl":"pkg:github/materialsvirtuallab/matcalc","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273727343,"owners_count":25157116,"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":"materialsvirtuallab","name":"Materials Virtual Lab","uuid":"5237956","kind":"organization","description":"The Materials Virtual Lab is dedicated to the application of first principles calculations and informatics to accelerate materials design.","email":"ongsp@ucsd.edu","website":"www.materialsvirtuallab.org","location":"La Jolla, CA","twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/5237956?v=4","repositories_count":33,"last_synced_at":"2024-04-16T01:05:22.017Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/materialsvirtuallab","funding_links":[],"total_stars":2027,"followers":210,"following":0,"created_at":"2022-11-04T01:25:35.063Z","updated_at":"2024-04-16T01:05:27.922Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab/repositories"},"packages":[{"id":8054726,"name":"matcalc","ecosystem":"pypi","description":"Calculators for materials properties from the potential energy surface.","homepage":null,"licenses":"BSD License","normalized_licenses":["BSD-3-Clause"],"repository_url":"https://github.com/materialsvirtuallab/matcalc","keywords_array":["AI","deep learning","force field","graph","interatomic potential","machine learning","materials","property prediction","science"],"namespace":null,"versions_count":18,"first_release_published_at":"2023-08-10T15:13:29.000Z","latest_release_published_at":"2025-08-22T16:06:07.000Z","latest_release_number":"0.4.3","last_synced_at":"2025-09-04T04:54:20.188Z","created_at":"2023-08-10T15:20:58.204Z","updated_at":"2025-09-04T17:20:55.206Z","registry_url":"https://pypi.org/project/matcalc/","install_command":"pip install matcalc --index-url https://pypi.org/simple","documentation_url":"https://matcalc.readthedocs.io/","metadata":{"funding":null,"documentation":null,"classifiers":["Development Status :: 4 - Beta","Intended Audience :: Science/Research","License :: OSI Approved :: BSD License","Operating System :: OS Independent","Programming Language :: Python :: 3","Programming Language :: Python :: 3.10","Programming Language :: Python :: 3.11","Topic :: Scientific/Engineering :: Chemistry","Topic :: Scientific/Engineering :: Information Analysis","Topic :: Scientific/Engineering :: Physics","Topic :: Software Development :: Libraries :: Python Modules"],"normalized_name":"matcalc","project_status":null},"repo_metadata":{"id":183972444,"uuid":"670410006","full_name":"materialsvirtuallab/matcalc","owner":"materialsvirtuallab","description":"A python library for calculating materials properties from the PES","archived":false,"fork":false,"pushed_at":"2025-09-04T02:51:05.000Z","size":234024,"stargazers_count":117,"open_issues_count":3,"forks_count":27,"subscribers_count":7,"default_branch":"main","last_synced_at":"2025-09-04T04:40:55.443Z","etag":null,"topics":["learning","machine","materials","pes","properties"],"latest_commit_sha":null,"homepage":"http://matcalc.ai/","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-3-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/materialsvirtuallab.png","metadata":{"files":{"readme":"README.md","changelog":"changes.md","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,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2023-07-25T02:04:04.000Z","updated_at":"2025-09-04T02:51:07.000Z","dependencies_parsed_at":"2023-07-26T15:39:53.213Z","dependency_job_id":"cdc0aec0-59c3-4e86-918c-507c3d06013b","html_url":"https://github.com/materialsvirtuallab/matcalc","commit_stats":null,"previous_names":["materialsvirtuallab/matcalc"],"tags_count":19,"template":false,"template_full_name":null,"purl":"pkg:github/materialsvirtuallab/matcalc","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273642414,"owners_count":25142369,"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":"2025-09-04T02:00:08.968Z","response_time":61,"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":"materialsvirtuallab","name":"Materials Virtual Lab","uuid":"5237956","kind":"organization","description":"The Materials Virtual Lab is dedicated to the application of first principles calculations and informatics to accelerate materials design.","email":"ongsp@ucsd.edu","website":"www.materialsvirtuallab.org","location":"La Jolla, CA","twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/5237956?v=4","repositories_count":33,"last_synced_at":"2024-04-16T01:05:22.017Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/materialsvirtuallab","funding_links":[],"total_stars":2027,"followers":210,"following":0,"created_at":"2022-11-04T01:25:35.063Z","updated_at":"2024-04-16T01:05:27.922Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab/repositories"},"tags":[{"name":"v0.4.3","sha":"5e71d2a7a515ef81f6d23e3cc35283eacbff07d1","kind":"commit","published_at":"2025-08-22T15:50:37.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.4.3","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.4.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.4.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.3/manifests"},{"name":"v0.4.2","sha":"3bfeac0f47f94f55fba329262faaa0279268ddd1","kind":"commit","published_at":"2025-07-31T05:30:24.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.4.2","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.4.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.4.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.2/manifests"},{"name":"v0.4.1","sha":"80fb7707279da82e2c0367f674aaa03641f44b53","kind":"commit","published_at":"2025-05-10T16:22:13.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.4.1","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.4.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.4.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.1/manifests"},{"name":"v0.4.0","sha":"b8e8b12fad9a64359ef5b2cd404137e352374422","kind":"commit","published_at":"2025-04-22T15:12:57.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.4.0","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.4.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.4.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.4.0/manifests"},{"name":"v0.3.3","sha":"acea14bb81332775d6c976ba43173e4f520c3b72","kind":"commit","published_at":"2025-04-06T20:55:32.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.3.3","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.3.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.3.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.3/manifests"},{"name":"v0.3.2","sha":"4c938eeab5d4426bf48375defaad3f457a65b442","kind":"commit","published_at":"2025-03-28T19:34:24.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.3.2","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.3.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.3.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.2/manifests"},{"name":"v0.3.1","sha":"d5a0ac1302ef84fd9b6f52b8d885f93c4f8e81b2","kind":"commit","published_at":"2025-03-28T02:38:25.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.3.1","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.3.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.3.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.1/manifests"},{"name":"v0.3.0","sha":"8f9d97d41717aa1c89192ea15b6144f59bef3d98","kind":"commit","published_at":"2025-03-28T00:38:57.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.3.0","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.3.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.3.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.3.0/manifests"},{"name":"v0.2.2","sha":"6c1c0cb353bda00ffd92399283620ac77f04552f","kind":"commit","published_at":"2025-03-27T20:30:10.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.2.2","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.2.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.2.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.2.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.2.2/manifests"},{"name":"v0.2.1","sha":"021ccfebfe5e293dd14a3b57e4bcfe28b3f24878","kind":"commit","published_at":"2025-03-27T16:54:06.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.2.1","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.2.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.2.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.2.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.2.1/manifests"},{"name":"v0.2.0","sha":"d81700d6acd64bccb0856efdddce986c2caef345","kind":"commit","published_at":"2025-03-26T16:43:10.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.2.0","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.2.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.2.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.2.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.2.0/manifests"},{"name":"v0.1.2","sha":"e9986f4e1f1320d6d8f652652805f39d0fd6c436","kind":"commit","published_at":"2025-03-23T14:53:05.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.1.2","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.1.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.1.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.1.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.1.2/manifests"},{"name":"v0.1.1","sha":"9b81a7d701d66f240039dd384520dd97e709d3ae","kind":"commit","published_at":"2025-03-21T18:00:18.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.1.1","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.1.1","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.1.1","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.1.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.1.1/manifests"},{"name":"v0.1.0","sha":"f7191a275a9301a35505f6c8023e4d3a5cefc0e3","kind":"commit","published_at":"2025-03-21T02:35:18.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.1.0","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.1.0","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.1.0","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.1.0/manifests"},{"name":"v0.0.6","sha":"83c74b028fd53c14aeedf3793d635ae9145bce72","kind":"commit","published_at":"2025-03-19T15:25:09.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.0.6","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.0.6","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.0.6","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.6","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.6/manifests"},{"name":"v0.0.5","sha":"d69284c5c43c21957fa24d3899fcb9da41ce1540","kind":"commit","published_at":"2025-03-15T17:12:06.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.0.5","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.0.5","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.0.5","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.5","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.5/manifests"},{"name":"v0.0.4","sha":"ce513a20f518081f02340d23d82adbb0ecf2dc9a","kind":"commit","published_at":"2024-01-01T18:39:35.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.0.4","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.0.4","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.0.4","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.4/manifests"},{"name":"v0.0.3","sha":"a3bd1f704b93f0657e1465b5da2a8b63b4f06d42","kind":"commit","published_at":"2023-09-26T20:40:28.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.0.3","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.0.3","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.0.3","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.3/manifests"},{"name":"v0.0.2","sha":"bc7e49485015744f025ac2b121a1f15f4d59464d","kind":"commit","published_at":"2023-08-14T15:18:48.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matcalc/tar.gz/v0.0.2","html_url":"https://github.com/materialsvirtuallab/matcalc/releases/tag/v0.0.2","dependencies_parsed_at":null,"dependency_job_id":null,"purl":"pkg:github/materialsvirtuallab/matcalc@v0.0.2","tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/tags/v0.0.2/manifests"}]},"repo_metadata_updated_at":"2025-09-04T17:20:55.206Z","dependent_packages_count":2,"downloads":4408,"downloads_period":"last-month","dependent_repos_count":1,"rankings":{"downloads":4.47846783504601,"dependent_repos_count":21.71838761843193,"dependent_packages_count":4.714065656226561,"stargazers_count":null,"forks_count":null,"docker_downloads_count":null,"average":10.3036403699015},"purl":"pkg:pypi/matcalc","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/pypi/matcalc","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/pypi/matcalc","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/pypi/matcalc/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":{"last_synced_at":"2025-09-01T23:03:39.979Z","issues_count":18,"pull_requests_count":120,"avg_time_to_close_issue":1974760.2142857143,"avg_time_to_close_pull_request":1255872.1037735848,"issues_closed_count":14,"pull_requests_closed_count":106,"pull_request_authors_count":16,"issue_authors_count":13,"avg_comments_per_issue":1.9444444444444444,"avg_comments_per_pull_request":1.5916666666666668,"merged_pull_requests_count":101,"bot_issues_count":0,"bot_pull_requests_count":43,"past_year_issues_count":13,"past_year_pull_requests_count":86,"past_year_avg_time_to_close_issue":2072112.4444444445,"past_year_avg_time_to_close_pull_request":1414280.410958904,"past_year_issues_closed_count":9,"past_year_pull_requests_closed_count":73,"past_year_pull_request_authors_count":13,"past_year_issue_authors_count":11,"past_year_avg_comments_per_issue":1.4615384615384615,"past_year_avg_comments_per_pull_request":1.4534883720930234,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":34,"past_year_merged_pull_requests_count":71,"issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/issues","maintainers":[{"login":"janosh","count":9,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/janosh"},{"login":"kenko911","count":6,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/kenko911"},{"login":"PROA200","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/PROA200"},{"login":"JiQi535","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/JiQi535"}],"active_maintainers":[{"login":"kenko911","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/kenko911"}]},"versions_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matcalc/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matcalc/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matcalc/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matcalc/related_packages","maintainers":[{"uuid":"Shyue.Ping.Ong","login":"Shyue.Ping.Ong","name":null,"email":null,"url":null,"packages_count":20,"html_url":"https://pypi.org/user/Shyue.Ping.Ong/","role":null,"created_at":"2023-08-10T15:20:59.142Z","updated_at":"2023-08-10T15:20:59.142Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers/Shyue.Ping.Ong/packages"}],"registry":{"name":"pypi.org","url":"https://pypi.org","ecosystem":"pypi","default":true,"packages_count":725017,"maintainers_count":308331,"namespaces_count":0,"keywords_count":238006,"github":"pypi","metadata":{"funded_packages_count":50519},"icon_url":"https://github.com/pypi.png","created_at":"2022-04-04T15:19:23.364Z","updated_at":"2025-09-05T05:40:58.860Z","packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages","maintainers_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/maintainers","namespaces_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/namespaces"}}],"commits":{"id":8986172,"full_name":"materialsvirtuallab/matcalc","default_branch":"main","committers":[{"name":"Shyue Ping Ong","email":"shyuep@gmail.com","login":"shyuep","count":342},{"name":"Runze Liu","email":"146490083+rul048","login":"rul048","count":121},{"name":"Shyue Ping Ong","email":"sp@ong.ai","login":null,"count":71},{"name":"Janosh Riebesell","email":"janosh.riebesell@gmail.com","login":"janosh","count":70},{"name":"Atul Thakur","email":"atul.thakur0130@gmail.com","login":"atulcthakur","count":21},{"name":"PROA200","email":"85151701+PROA200","login":"PROA200","count":14},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]","login":"dependabot[bot]","count":11},{"name":"kenko911","email":"kenko911@gmail.com","login":"kenko911","count":8},{"name":"pre-commit-ci[bot]","email":"66853113+pre-commit-ci[bot]","login":"pre-commit-ci[bot]","count":8},{"name":"Anthony Onwuli","email":"anthony.onwuli16@imperial.ac.uk","login":"AntObi","count":6},{"name":"Zihan Yu","email":"drakeyu@login29.chn.perlmutter.nersc.gov","login":null,"count":5},{"name":"BowenD-UCB","email":"84425382+BowenD-UCB","login":"BowenD-UCB","count":4},{"name":"lbluque","email":"lbluque@meta.com","login":"lbluque","count":3},{"name":"Zihan Yu","email":"drakeyu@login37.chn.perlmutter.nersc.gov","login":null,"count":1},{"name":"Zihan Yu","email":"drakeyu@login19.chn.perlmutter.nersc.gov","login":null,"count":1},{"name":"Runze Liu","email":"rul048@login17.chn.perlmutter.nersc.gov","login":null,"count":1},{"name":"Ji Qi","email":"54908836+JiQi535","login":"JiQi535","count":1}],"total_commits":688,"total_committers":17,"total_bot_commits":19,"total_bot_committers":2,"mean_commits":40.470588235294116,"dds":0.502906976744186,"past_year_committers":[{"name":"Shyue Ping Ong","email":"shyuep@gmail.com","login":"shyuep","count":323},{"name":"Runze Liu","email":"146490083+rul048","login":"rul048","count":109},{"name":"Atul Thakur","email":"atul.thakur0130@gmail.com","login":"atulcthakur","count":21},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]","login":"dependabot[bot]","count":8},{"name":"pre-commit-ci[bot]","email":"66853113+pre-commit-ci[bot]","login":"pre-commit-ci[bot]","count":8},{"name":"Anthony Onwuli","email":"anthony.onwuli16@imperial.ac.uk","login":"AntObi","count":6},{"name":"Zihan Yu","email":"drakeyu@login29.chn.perlmutter.nersc.gov","login":null,"count":5},{"name":"BowenD-UCB","email":"84425382+BowenD-UCB","login":"BowenD-UCB","count":4},{"name":"kenko911","email":"kenko911@gmail.com","login":"kenko911","count":3},{"name":"lbluque","email":"lbluque@meta.com","login":"lbluque","count":3},{"name":"Janosh Riebesell","email":"janosh.riebesell@gmail.com","login":"janosh","count":2},{"name":"Runze Liu","email":"rul048@login17.chn.perlmutter.nersc.gov","login":null,"count":1},{"name":"Zihan Yu","email":"drakeyu@login19.chn.perlmutter.nersc.gov","login":null,"count":1},{"name":"Zihan Yu","email":"drakeyu@login37.chn.perlmutter.nersc.gov","login":null,"count":1}],"past_year_total_commits":495,"past_year_total_committers":14,"past_year_total_bot_commits":16,"past_year_total_bot_committers":2,"past_year_mean_commits":35.357142857142854,"past_year_dds":0.3474747474747475,"last_synced_at":"2025-05-20T10:42:35.390Z","last_synced_commit":"a442c6fc65f2428b254b2f126583bfe30c74e7b6","created_at":"2025-03-02T15:57:09.903Z","updated_at":"2025-05-20T10:42:40.428Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/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":"materialsvirtuallab/matcalc","html_url":"https://github.com/materialsvirtuallab/matcalc","last_synced_at":"2025-09-05T04:11:21.404Z","status":null,"issues_count":18,"pull_requests_count":129,"avg_time_to_close_issue":738586.5833333334,"avg_time_to_close_pull_request":1018611.5840707965,"issues_closed_count":12,"pull_requests_closed_count":113,"pull_request_authors_count":16,"issue_authors_count":13,"avg_comments_per_issue":1.722222222222222,"avg_comments_per_pull_request":1.6511627906976745,"merged_pull_requests_count":106,"bot_issues_count":0,"bot_pull_requests_count":48,"past_year_issues_count":13,"past_year_pull_requests_count":87,"past_year_avg_time_to_close_issue":592092.625,"past_year_avg_time_to_close_pull_request":929532.5277777778,"past_year_issues_closed_count":8,"past_year_pull_requests_closed_count":72,"past_year_pull_request_authors_count":13,"past_year_issue_authors_count":11,"past_year_avg_comments_per_issue":1.1538461538461537,"past_year_avg_comments_per_pull_request":1.35632183908046,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":36,"past_year_merged_pull_requests_count":70,"created_at":"2025-03-02T15:57:10.242Z","updated_at":"2025-09-05T04:11:21.406Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatcalc/issues","issue_labels_count":{"bug":7,"enhancement":3,"elast":1,"relax":1},"pull_request_labels_count":{"dependencies":28,"ruby":20,"fix":5,"python":4,"enhancement":4,"docs":4,"ux":2,"breaking":2,"tests":2,"new calc":2,"matgl":2,"ase":2,"neb":2,"types":1,"refactor":1,"relax":1,"needs testing":1,"eos":1,"elast":1},"issue_author_associations_count":{"NONE":9,"CONTRIBUTOR":9},"pull_request_author_associations_count":{"CONTRIBUTOR":98,"COLLABORATOR":17,"NONE":14},"issue_authors":{"shyuep":4,"Andrew-S-Rosen":3,"wakamiya0315":1,"Asecretboy":1,"alinelena":1,"t-reents":1,"matthewkuner":1,"tankylz":1,"janosh":1,"atulcthakur":1,"svandenhaute":1,"esoteric-ephemera":1,"computron":1},"pull_request_authors":{"rul048":31,"dependabot[bot]":26,"pre-commit-ci[bot]":22,"atulcthakur":11,"janosh":9,"kenko911":6,"Andrew-S-Rosen":5,"bowen-bd":4,"AntObi":4,"lbluque":2,"drakeyu":2,"leslie-zheng":2,"computron":2,"PROA200":1,"JiQi535":1,"MorrowChem":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-05T00:00:10.444Z","repositories_count":10087320,"issues_count":31306968,"pull_requests_count":96469683,"authors_count":10696025,"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":{"bug":6,"relax":1},"past_year_pull_request_labels_count":{"dependencies":14,"ruby":12,"python":2},"past_year_issue_author_associations_count":{"NONE":7,"CONTRIBUTOR":6},"past_year_pull_request_author_associations_count":{"CONTRIBUTOR":75,"NONE":11,"COLLABORATOR":1},"past_year_issue_authors":{"Andrew-S-Rosen":3,"Asecretboy":1,"atulcthakur":1,"computron":1,"esoteric-ephemera":1,"janosh":1,"shyuep":1,"svandenhaute":1,"tankylz":1,"t-reents":1,"wakamiya0315":1},"past_year_pull_request_authors":{"pre-commit-ci[bot]":22,"rul048":19,"dependabot[bot]":14,"atulcthakur":11,"Andrew-S-Rosen":5,"bowen-bd":4,"leslie-zheng":2,"lbluque":2,"drakeyu":2,"AntObi":2,"computron":2,"kenko911":1,"MorrowChem":1},"maintainers":[{"login":"janosh","count":9,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/janosh"},{"login":"kenko911","count":6,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/kenko911"},{"login":"PROA200","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/PROA200"},{"login":"JiQi535","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/JiQi535"}],"active_maintainers":[{"login":"kenko911","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/kenko911"}]},"events":{"total":{"CreateEvent":30,"CommitCommentEvent":4,"ReleaseEvent":16,"IssuesEvent":19,"WatchEvent":44,"DeleteEvent":15,"IssueCommentEvent":109,"PushEvent":342,"PullRequestReviewEvent":16,"PullRequestReviewCommentEvent":15,"PullRequestEvent":83,"ForkEvent":12},"last_year":{"CreateEvent":30,"CommitCommentEvent":4,"ReleaseEvent":16,"IssuesEvent":19,"WatchEvent":44,"DeleteEvent":15,"IssueCommentEvent":109,"PushEvent":342,"PullRequestReviewEvent":16,"PullRequestReviewCommentEvent":15,"PullRequestEvent":83,"ForkEvent":12}},"keywords":["learning","machine","materials","pes","properties"],"dependencies":[{"ecosystem":"actions","filepath":".github/workflows/linting.yml","sha":null,"kind":"manifest","created_at":"2023-07-26T15:39:52.434Z","updated_at":"2023-07-26T15:39:52.434Z","repository_link":"https://github.com/materialsvirtuallab/matcalc/blob/main/.github/workflows/linting.yml","dependencies":[{"id":12053007775,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":12053007776,"package_name":"actions/setup-python","ecosystem":"actions","requirements":"v4","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/testing.yml","sha":null,"kind":"manifest","created_at":"2023-07-26T15:39:52.575Z","updated_at":"2023-07-26T15:39:52.575Z","repository_link":"https://github.com/materialsvirtuallab/matcalc/blob/main/.github/workflows/testing.yml","dependencies":[{"id":12053007777,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":12053007778,"package_name":"actions/setup-python","ecosystem":"actions","requirements":"v4","direct":true,"kind":"composite","optional":false},{"id":12053007779,"package_name":"coverallsapp/github-action","ecosystem":"actions","requirements":"v2","direct":true,"kind":"composite","optional":false},{"id":12053007780,"package_name":"actions/upload-artifact","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":12053007781,"package_name":"actions/download-artifact","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":12053007782,"package_name":"pypa/gh-action-pypi-publish","ecosystem":"actions","requirements":"release/v1","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"pypi","filepath":"pyproject.toml","sha":null,"kind":"manifest","created_at":"2023-07-26T15:39:52.667Z","updated_at":"2023-07-26T15:39:52.667Z","repository_link":"https://github.com/materialsvirtuallab/matcalc/blob/main/pyproject.toml","dependencies":[]},{"ecosystem":"pypi","filepath":"requirements-ci.txt","sha":null,"kind":"manifest","created_at":"2023-07-26T15:39:52.748Z","updated_at":"2023-07-26T15:39:52.748Z","repository_link":"https://github.com/materialsvirtuallab/matcalc/blob/main/requirements-ci.txt","dependencies":[{"id":12053007783,"package_name":"pytest","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007784,"package_name":"pytest-cov","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007785,"package_name":"coverage","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007786,"package_name":"coveralls","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007787,"package_name":"mypy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007788,"package_name":"ruff","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007789,"package_name":"black","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":12053007790,"package_name":"matgl","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"requirements.txt","sha":null,"kind":"manifest","created_at":"2023-07-26T15:39:52.872Z","updated_at":"2023-07-26T15:39:52.872Z","repository_link":"https://github.com/materialsvirtuallab/matcalc/blob/main/requirements.txt","dependencies":[{"id":12053007791,"package_name":"pymatgen","ecosystem":"pypi","requirements":"==2023.7.11","direct":true,"kind":"runtime","optional":false},{"id":12053007792,"package_name":"ase","ecosystem":"pypi","requirements":"==3.22.1","direct":true,"kind":"runtime","optional":false},{"id":12053007793,"package_name":"joblib","ecosystem":"pypi","requirements":"==1.3.1","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2023-07-26T15:39:53.096Z","updated_at":"2023-07-26T15:39:53.096Z","repository_link":"https://github.com/materialsvirtuallab/matcalc/blob/main/setup.py","dependencies":[]}],"score":16.012788467211656,"created_at":"2025-09-04T15:51:11.439Z","updated_at":"2025-10-07T08:15:28.564Z","avatar_url":"https://github.com/materialsvirtuallab.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":4408,"funding_links":[],"readme_doi_urls":[],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["materials-science","materials-informatics","machine-learning-force-field","materials-discovery","spectroscopy","mesh","hydrology","regionalization","energy-system","exoplanet"],"project_url":"https://science.ecosyste.ms/api/v1/projects/37626","html_url":"https://science.ecosyste.ms/projects/37626"}