{"id":39156,"name":"matgl","description":"Graph deep learning library for materials","url":"https://github.com/materialsvirtuallab/matgl","last_synced_at":"2025-09-05T08:05:38.051Z","repository":{"id":62923214,"uuid":"530347014","full_name":"materialsvirtuallab/matgl","owner":"materialsvirtuallab","description":"Graph deep learning library for materials","archived":false,"fork":false,"pushed_at":"2025-09-02T01:03:06.000Z","size":122931,"stargazers_count":408,"open_issues_count":4,"forks_count":84,"subscribers_count":10,"default_branch":"main","last_synced_at":"2025-09-02T02:38:55.595Z","etag":null,"topics":["deep","graph","learning","materials-informatics","materials-science"],"latest_commit_sha":null,"homepage":"","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":".github/CODEOWNERS","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":"2022-08-29T18:36:05.000Z","updated_at":"2025-09-02T01:01:32.000Z","dependencies_parsed_at":"2023-10-04T00:20:46.132Z","dependency_job_id":"6baefd32-c689-467f-9bd1-111eed652cfb","html_url":"https://github.com/materialsvirtuallab/matgl","commit_stats":null,"previous_names":[],"tags_count":38,"template":false,"template_full_name":null,"purl":"pkg:github/materialsvirtuallab/matgl","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273728151,"owners_count":25157136,"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":6349718,"name":"matgl","ecosystem":"pypi","description":"MatGL is a framework for graph deep learning for materials science.","homepage":null,"licenses":"BSD-3-Clause","normalized_licenses":["BSD-3-Clause"],"repository_url":"https://github.com/materialsvirtuallab/matgl","keywords_array":["materials","interatomic potential","force field","science","property prediction","AI","machine learning","graph","deep learning"],"namespace":null,"versions_count":39,"first_release_published_at":"2023-02-16T18:20:46.000Z","latest_release_published_at":"2025-08-12T16:19:45.000Z","latest_release_number":"1.3.0","last_synced_at":"2025-09-02T02:46:28.564Z","created_at":"2023-02-16T19:27:11.136Z","updated_at":"2025-09-02T02:46:28.564Z","registry_url":"https://pypi.org/project/matgl/","install_command":"pip install matgl --index-url https://pypi.org/simple","documentation_url":"https://matgl.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","Programming Language :: Python :: 3.12","Topic :: Scientific/Engineering :: Chemistry","Topic :: Scientific/Engineering :: Information Analysis","Topic :: Scientific/Engineering :: Physics","Topic :: Software Development :: Libraries :: Python Modules"],"normalized_name":"matgl","project_status":null},"repo_metadata":{"id":62923214,"uuid":"530347014","full_name":"materialsvirtuallab/matgl","owner":"materialsvirtuallab","description":"Graph deep learning library for materials","archived":false,"fork":false,"pushed_at":"2024-09-06T18:56:15.000Z","size":87100,"stargazers_count":252,"open_issues_count":4,"forks_count":59,"subscribers_count":12,"default_branch":"main","last_synced_at":"2024-09-07T03:36:56.902Z","etag":null,"topics":["deep","graph","learning","materials-informatics","materials-science"],"latest_commit_sha":null,"homepage":"","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":".github/CODEOWNERS","security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2022-08-29T18:36:05.000Z","updated_at":"2024-09-06T18:55:11.000Z","dependencies_parsed_at":"2023-10-04T00:20:46.132Z","dependency_job_id":"6baefd32-c689-467f-9bd1-111eed652cfb","html_url":"https://github.com/materialsvirtuallab/matgl","commit_stats":null,"previous_names":[],"tags_count":31,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/materialsvirtuallab","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":217921459,"owners_count":16251115,"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","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":"v1.1.3","sha":"f3afb34ef786a218e7a3551afc88ff57618888fa","kind":"commit","published_at":"2024-08-02T06:36:59.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v1.1.3","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v1.1.3","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.3/manifests"},{"name":"v1.1.2","sha":"da3dab9affa09feb391351ab2e9fa38862f2c31d","kind":"commit","published_at":"2024-06-07T15:13:54.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v1.1.2","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v1.1.2","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.2/manifests"},{"name":"v1.1.1","sha":"088a8a84956c3e9aa4b6afff40d9e35a4d27530f","kind":"commit","published_at":"2024-05-09T13:52:07.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v1.1.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v1.1.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.1/manifests"},{"name":"v1.1.0","sha":"64f5f8cd90f4ff30c5e7627c3782d7e20d541931","kind":"commit","published_at":"2024-05-06T20:27:09.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v1.1.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v1.1.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.1.0/manifests"},{"name":"v1.0.0","sha":"b9f2e02656fcdada7a864f2ec91662426b4431ea","kind":"commit","published_at":"2024-02-14T14:54:43.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v1.0.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v1.0.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.0.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v1.0.0/manifests"},{"name":"v0.9.2","sha":"096f512e852bc2a5bd454775d1b890404f559fbc","kind":"commit","published_at":"2024-01-26T20:42:13.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.9.2","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.9.2","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.9.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.9.2/manifests"},{"name":"v0.9.1","sha":"51496ed35e020a8a2a92b396bede5f7700e5eb2b","kind":"commit","published_at":"2023-11-17T20:09:31.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.9.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.9.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.9.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.9.1/manifests"},{"name":"v0.9.0","sha":"66f807a3a1a57bf5d315702566e12cb0b344df85","kind":"commit","published_at":"2023-11-17T15:12:58.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.9.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.9.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.9.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.9.0/manifests"},{"name":"v0.8.5","sha":"f5c0143c8858bd472b9d09ee24035073b1f4cf3b","kind":"commit","published_at":"2023-08-29T17:29:20.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.8.5","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.5","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.5","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.5/manifests"},{"name":"v0.8.4","sha":"170cc2530e0c5343833f10090160e2793d85a7a5","kind":"commit","published_at":"2023-08-29T13:58:51.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.8.4","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.4","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.4/manifests"},{"name":"v0.8.3","sha":"e617e5c745c71ca0ec08714eb3fd1efe6ed6b7e5","kind":"commit","published_at":"2023-08-22T14:06:38.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.8.3","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.3","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.3/manifests"},{"name":"v0.8.2","sha":"24eae9cf296608dd6f1a9f028b4ad7b6fc403674","kind":"commit","published_at":"2023-08-11T14:48:17.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.8.2","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.2","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.2/manifests"},{"name":"v0.8.1","sha":"4d53fe74064558a9af3a6f2e0e7604e2645766db","kind":"commit","published_at":"2023-08-06T22:52:14.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.8.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.1/manifests"},{"name":"v0.8.0","sha":"570d30af48b33d8ac03dbaec96f66af0df1cd20d","kind":"commit","published_at":"2023-07-28T14:48:12.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.8.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.8.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.8.0/manifests"},{"name":"v0.7.1","sha":"653ffaee9db7b2d40be53026dc19ce2b507025dc","kind":"commit","published_at":"2023-07-11T14:37:39.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.7.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.7.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.7.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.7.1/manifests"},{"name":"v0.7.0","sha":"44e67a5fc30183cb08a9c93251da915781ee4571","kind":"commit","published_at":"2023-06-25T23:03:51.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.7.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.7.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.7.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.7.0/manifests"},{"name":"v0.6.2","sha":"a93c1c05e1d8a305d20546e95aa60bb79dbda335","kind":"commit","published_at":"2023-06-21T19:17:53.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.6.2","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.6.2","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.6.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.6.2/manifests"},{"name":"v0.6.1","sha":"773493c54ea81a6b42c503d69100504f800fb85c","kind":"commit","published_at":"2023-06-21T03:35:03.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.6.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.6.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.6.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.6.1/manifests"},{"name":"v0.6.0","sha":"cb9fd1d5ad432d7a807726fe080e030472aa8ec6","kind":"commit","published_at":"2023-06-20T17:12:43.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.6.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.6.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.6.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.6.0/manifests"},{"name":"v0.5.6","sha":"da933703a59de89db64985ca7195b57e49f59c39","kind":"commit","published_at":"2023-06-15T04:15:43.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.6","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.6","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.6","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.6/manifests"},{"name":"v0.5.5","sha":"d30a9bf5db2e4cafb23cdd0620a30f4420990af9","kind":"commit","published_at":"2023-06-13T19:32:49.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.5","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.5","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.5","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.5/manifests"},{"name":"v0.5.4","sha":"11deb7e416202ee26d0ecc99a08ccac9dc93e68d","kind":"commit","published_at":"2023-06-13T19:07:44.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.4","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.4","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.4","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.4/manifests"},{"name":"v0.5.3","sha":"cc6fac833f5a84ff59e91ae2562f529322fde214","kind":"commit","published_at":"2023-06-11T15:29:01.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.3","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.3","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.3","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.3/manifests"},{"name":"v0.5.2","sha":"7e9b97aec7bfdde27e358d7005cce7adfa2e3de2","kind":"commit","published_at":"2023-06-10T15:08:19.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.2","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.2","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.2","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.2/manifests"},{"name":"v0.5.1","sha":"6665a896773bb8a36d6937135a7312dee290c8f7","kind":"commit","published_at":"2023-06-09T15:25:15.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.1/manifests"},{"name":"v0.5.0","sha":"922c1ca34a3523ebf35c7fa41a37b93d19461806","kind":"commit","published_at":"2023-06-09T03:11:26.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.5.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.5.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.5.0/manifests"},{"name":"v0.4.0","sha":"954fe34b8b9c1fa2a6212828aaa80b6bfed75873","kind":"commit","published_at":"2023-06-06T23:31:16.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.4.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.4.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.4.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.4.0/manifests"},{"name":"v0.3.0","sha":"97e269904c5e2dfbf949dd9be8374fd339be4a26","kind":"commit","published_at":"2023-05-07T20:32:02.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.3.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.3.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.3.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.3.0/manifests"},{"name":"v0.2.1","sha":"50327595a6773bf3b3f48ec01cd61f8a7be82c42","kind":"commit","published_at":"2023-05-02T13:54:35.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.2.1","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.2.1","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.2.1","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.2.1/manifests"},{"name":"v0.2.0","sha":"09b3f8a5fe4dd6250787f5cd01a69e62fffbabeb","kind":"commit","published_at":"2023-04-27T02:31:53.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.2.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.2.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.2.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.2.0/manifests"},{"name":"v0.1.0","sha":"738dd1ef8f5ec5d83e360d929ded286d515f1392","kind":"commit","published_at":"2023-03-24T21:13:10.000Z","download_url":"https://codeload.github.com/materialsvirtuallab/matgl/tar.gz/v0.1.0","html_url":"https://github.com/materialsvirtuallab/matgl/releases/tag/v0.1.0","dependencies_parsed_at":null,"dependency_job_id":null,"tag_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.1.0","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/tags/v0.1.0/manifests"}]},"repo_metadata_updated_at":"2024-09-07T03:56:28.873Z","dependent_packages_count":9,"downloads":16364,"downloads_period":"last-month","dependent_repos_count":2,"rankings":{"downloads":2.9500873105494376,"dependent_repos_count":11.538761852707434,"dependent_packages_count":1.5922742040533386,"stargazers_count":null,"forks_count":null,"docker_downloads_count":null,"average":5.360374455770071},"purl":"pkg:pypi/matgl","advisories":[],"docker_usage_url":"https://docker.ecosyste.ms/usage/pypi/matgl","docker_dependents_count":null,"docker_downloads_count":null,"usage_url":"https://repos.ecosyste.ms/usage/pypi/matgl","dependent_repositories_url":"https://repos.ecosyste.ms/api/v1/usage/pypi/matgl/dependencies","status":null,"funding_links":[],"critical":null,"issue_metadata":null,"versions_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matgl/versions","version_numbers_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matgl/version_numbers","dependent_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matgl/dependent_packages","related_packages_url":"https://packages.ecosyste.ms/api/v1/registries/pypi.org/packages/matgl/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":"2023-02-26T08:07:28.241Z","updated_at":"2023-02-26T08:07:28.241Z","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":725040,"maintainers_count":308337,"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":8986216,"full_name":"materialsvirtuallab/matgl","default_branch":"main","committers":[{"name":"Shyue Ping Ong","email":"sp@ong.ai","login":null,"count":589},{"name":"Shyue Ping Ong","email":"shyuep@gmail.com","login":"shyuep","count":261},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]","login":"dependabot[bot]","count":235},{"name":"Tsz Wai Ko","email":"47970742+kenko911","login":"kenko911","count":140},{"name":"ko tsz wai","email":"kenko@kos-MacBook-Pro.local","login":null,"count":21},{"name":"Luis Barroso-Luque","email":"lbluque","login":"lbluque","count":19},{"name":"Janosh Riebesell","email":"janosh.riebesell@gmail.com","login":"janosh","count":12},{"name":"PROA200","email":"85151701+PROA200","login":"PROA200","count":9},{"name":"Bowen Deng","email":"84425382+bowen-bd","login":"bowen-bd","count":7},{"name":"Andrew S. Rosen","email":"asrosen93@gmail.com","login":"Andrew-S-Rosen","count":6},{"name":"Bowen Deng","email":"84425382+BowenD-UCB","login":"BowenD-UCB","count":4},{"name":"JiQi535","email":"54908836+JiQi535","login":"JiQi535","count":3},{"name":"Haoyu (Daniel) YANG 杨浩宇","email":"yanghaoyu97@outlook.com","login":"DanielYang59","count":2},{"name":"Alexander Yakovlev","email":"job.yakovlev.alexander@gmail.com","login":"Badasper","count":1},{"name":"Carmelo Gonzales","email":"43048528+melo-gonzo","login":"melo-gonzo","count":1},{"name":"David Hotham","email":"david.hotham@microsoft.com","login":"dimbleby","count":1},{"name":"Jiacheng Wang","email":"63186896+jcwang587","login":"jcwang587","count":1},{"name":"Ming","email":"55485031+1152041831","login":"1152041831","count":1},{"name":"Runze Liu","email":"146490083+rul048","login":"rul048","count":1},{"name":"santiago.miret","email":"smiret@aipg-ra-skx-03.ra.intel.com","login":null,"count":1},{"name":"Yuta Suzuki","email":"resnant@outlook.jp","login":"resnant","count":1},{"name":"pre-commit-ci[bot]","email":"66853113+pre-commit-ci[bot]","login":"pre-commit-ci[bot]","count":1}],"total_commits":1317,"total_committers":22,"total_bot_commits":236,"total_bot_committers":2,"mean_commits":59.86363636363637,"dds":0.5527714502657555,"past_year_committers":[{"name":"dependabot[bot]","email":"49699333+dependabot[bot]","login":"dependabot[bot]","count":172},{"name":"Shyue Ping Ong","email":"shyuep@gmail.com","login":"shyuep","count":161},{"name":"Tsz Wai Ko","email":"47970742+kenko911","login":"kenko911","count":65},{"name":"Bowen Deng","email":"84425382+bowen-bd","login":"bowen-bd","count":7},{"name":"Haoyu (Daniel) YANG 杨浩宇","email":"yanghaoyu97@outlook.com","login":"DanielYang59","count":2},{"name":"Bowen Deng","email":"84425382+BowenD-UCB","login":"BowenD-UCB","count":2},{"name":"Andrew S. Rosen","email":"asrosen93@gmail.com","login":"Andrew-S-Rosen","count":2},{"name":"pre-commit-ci[bot]","email":"66853113+pre-commit-ci[bot]","login":"pre-commit-ci[bot]","count":1},{"name":"Jiacheng Wang","email":"63186896+jcwang587","login":"jcwang587","count":1},{"name":"David Hotham","email":"david.hotham@microsoft.com","login":"dimbleby","count":1},{"name":"Alexander Yakovlev","email":"job.yakovlev.alexander@gmail.com","login":"Badasper","count":1}],"past_year_total_commits":415,"past_year_total_committers":11,"past_year_total_bot_commits":173,"past_year_total_bot_committers":2,"past_year_mean_commits":37.72727272727273,"past_year_dds":0.5855421686746988,"last_synced_at":"2025-05-29T04:39:12.608Z","last_synced_commit":"88928cca8deec3f41afc3e1c468b6b1865e57794","created_at":"2025-03-02T15:57:23.501Z","updated_at":"2025-05-29T04:39:15.908Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/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/matgl","html_url":"https://github.com/materialsvirtuallab/matgl","last_synced_at":"2025-09-02T02:03:38.209Z","status":null,"issues_count":78,"pull_requests_count":286,"avg_time_to_close_issue":2446089.343283582,"avg_time_to_close_pull_request":615175.7309236948,"issues_closed_count":67,"pull_requests_closed_count":249,"pull_request_authors_count":21,"issue_authors_count":52,"avg_comments_per_issue":1.9230769230769231,"avg_comments_per_pull_request":0.8181818181818182,"merged_pull_requests_count":198,"bot_issues_count":0,"bot_pull_requests_count":182,"past_year_issues_count":22,"past_year_pull_requests_count":146,"past_year_avg_time_to_close_issue":290298.6666666667,"past_year_avg_time_to_close_pull_request":396399.4344262295,"past_year_issues_closed_count":18,"past_year_pull_requests_closed_count":122,"past_year_pull_request_authors_count":10,"past_year_issue_authors_count":16,"past_year_avg_comments_per_issue":1.0,"past_year_avg_comments_per_pull_request":0.5958904109589042,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":114,"past_year_merged_pull_requests_count":99,"created_at":"2025-03-02T15:57:23.939Z","updated_at":"2025-09-03T06:45:51.919Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/materialsvirtuallab%2Fmatgl/issues","issue_labels_count":{"bug":38,"dependencies":4,"python":4},"pull_request_labels_count":{"dependencies":295,"python":240,"ruby":13,"fix":3,"documentation":2,"bug":2,"pkg":1,"tests":1},"issue_author_associations_count":{"NONE":71,"CONTRIBUTOR":21,"COLLABORATOR":4},"pull_request_author_associations_count":{"CONTRIBUTOR":401,"COLLABORATOR":13,"NONE":12},"issue_authors":{"Andrew-S-Rosen":11,"matthewkuner":7,"shyuep":5,"dependabot[bot]":4,"janosh":4,"msehabibur":4,"yliu1240":2,"L2531-M":2,"Long-Brian-Yang":2,"ThePauliPrinciple":2,"JonathanSchmidt1":2,"Asif-Iqbal-Bhatti":2,"YuanbinLiu":1,"HarshaSatyavardhan":1,"mshuaibii":1,"jic198":1,"jhkimmmmm":1,"aryannsaha":1,"matthewcarbone":1,"rick433":1,"mkphuthi":1,"SmallBearC":1,"jun0c129":1,"rashigeek":1,"DanielYang59":1,"R-applet":1,"zdcao121":1,"guillemsimeon":1,"akeelshah":1,"JunsuAndrewLee":1,"Taylor112233":1,"ligerzero-ai":1,"GHLau":1,"el9201":1,"FUVHasagi":1,"Sunests":1,"Rajarshi1001":1,"hchenglab":1,"nwpugaoliying":1,"sh-divya":1,"GurjotDhaliwal":1,"jan-janssen":1,"hspark1212":1,"goodwilling":1,"dShado94":1,"MoseyQAQ":1,"guaguabujianle":1,"yaomz16":1,"txy159":1,"CompRhys":1,"JosephMontoya-TRI":1,"alinelena":1,"mstapelberg":1,"vzguille":1,"ChenglongWang":1,"bfocassio":1,"rydeveraumn":1,"xiaohang007":1,"mm21d013":1,"HojeChun":1,"Youjin1985":1},"pull_request_authors":{"dependabot[bot]":295,"kenko911":75,"janosh":7,"bowen-bd":7,"Andrew-S-Rosen":7,"lbluque":6,"JiQi535":5,"BowenD-UCB":4,"pre-commit-ci[bot]":4,"yliu1240":2,"DanielYang59":2,"dimbleby":2,"PROA200":1,"matthewcarbone":1,"jcwang587":1,"Badasper":1,"melo-gonzo":1,"rul048":1,"txy159":1,"shyuep":1,"miicck":1,"mm21d013":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-03T00:00:08.273Z","repositories_count":10068949,"issues_count":31210816,"pull_requests_count":95205138,"authors_count":10688670,"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":17,"dependencies":4,"python":4},"past_year_pull_request_labels_count":{"dependencies":207,"python":200,"ruby":7},"past_year_issue_author_associations_count":{"NONE":25,"CONTRIBUTOR":12},"past_year_pull_request_author_associations_count":{"CONTRIBUTOR":251,"NONE":6,"COLLABORATOR":6},"past_year_issue_authors":{"Andrew-S-Rosen":5,"msehabibur":4,"dependabot[bot]":4,"yliu1240":2,"shyuep":2,"Long-Brian-Yang":2,"L2531-M":2,"guaguabujianle":1,"GurjotDhaliwal":1,"hspark1212":1,"jun0c129":1,"GHLau":1,"el9201":1,"mkphuthi":1,"MoseyQAQ":1,"DanielYang59":1,"mshuaibii":1,"nwpugaoliying":1,"R-applet":1,"sh-divya":1,"Asif-Iqbal-Bhatti":1,"aryannsaha":1,"zdcao121":1},"past_year_pull_request_authors":{"dependabot[bot]":207,"kenko911":30,"bowen-bd":7,"Andrew-S-Rosen":4,"pre-commit-ci[bot]":4,"yliu1240":2,"dimbleby":2,"DanielYang59":2,"BowenD-UCB":2,"jcwang587":1,"mm21d013":1,"miicck":1},"maintainers":[{"login":"janosh","count":11,"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"}],"active_maintainers":[{"login":"kenko911","count":6,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/kenko911"}]},"events":null,"keywords":["deep","graph","learning","materials-informatics","materials-science"],"dependencies":[{"ecosystem":"pypi","filepath":"requirements-ci.txt","sha":null,"kind":"manifest","created_at":"2022-11-09T07:01:35.659Z","updated_at":"2022-11-09T07:01:35.659Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/requirements-ci.txt","dependencies":[{"id":6637883375,"package_name":"pytest","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883376,"package_name":"pytest-cov","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883377,"package_name":"coverage","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883378,"package_name":"coveralls","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883379,"package_name":"pycodestyle","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883380,"package_name":"mypy","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883381,"package_name":"pydocstyle","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883382,"package_name":"flake8","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883383,"package_name":"types-tabulate","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":6637883384,"package_name":"pylint","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"requirements.txt","sha":null,"kind":"manifest","created_at":"2022-11-09T07:01:35.688Z","updated_at":"2022-11-09T07:01:35.688Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/requirements.txt","dependencies":[{"id":6637883402,"package_name":"numpy","ecosystem":"pypi","requirements":"==1.23.4","direct":true,"kind":"runtime","optional":false},{"id":6637883403,"package_name":"torch","ecosystem":"pypi","requirements":"==1.13.0","direct":true,"kind":"runtime","optional":false},{"id":6637883404,"package_name":"torchaudio","ecosystem":"pypi","requirements":"==0.13.0","direct":true,"kind":"runtime","optional":false},{"id":6637883405,"package_name":"torchvision","ecosystem":"pypi","requirements":"==0.14.0","direct":true,"kind":"runtime","optional":false},{"id":6637883406,"package_name":"pymatgen","ecosystem":"pypi","requirements":"==2022.11.1","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"actions","filepath":".github/workflows/linting.yml","sha":null,"kind":"manifest","created_at":"2023-02-16T19:30:44.076Z","updated_at":"2023-02-16T19:30:44.076Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/.github/workflows/linting.yml","dependencies":[{"id":7722062674,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":7722062675,"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":"2023-02-16T19:30:44.139Z","updated_at":"2023-02-16T19:30:44.139Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/.github/workflows/testing.yml","dependencies":[{"id":7722064875,"package_name":"actions/checkout","ecosystem":"actions","requirements":"v3","direct":true,"kind":"composite","optional":false},{"id":7722064876,"package_name":"actions/setup-python","ecosystem":"actions","requirements":"v4","direct":true,"kind":"composite","optional":false}]},{"ecosystem":"docker","filepath":".devcontainer/Dockerfile","sha":null,"kind":"manifest","created_at":"2023-09-26T17:12:10.939Z","updated_at":"2023-09-26T17:12:10.939Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/.devcontainer/Dockerfile","dependencies":[{"id":13954397447,"package_name":"mcr.microsoft.com/devcontainers/miniconda","ecosystem":"docker","requirements":"0-3","direct":true,"kind":"build","optional":false}]},{"ecosystem":"docker","filepath":"docker/cpu/Dockerfile","sha":null,"kind":"manifest","created_at":"2023-09-26T17:12:10.949Z","updated_at":"2023-09-26T17:12:10.949Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/docker/cpu/Dockerfile","dependencies":[{"id":13954397448,"package_name":"python","ecosystem":"docker","requirements":"3.9.17","direct":true,"kind":"build","optional":false}]},{"ecosystem":"docker","filepath":"docker/cuda/Dockerfile","sha":null,"kind":"manifest","created_at":"2023-09-26T17:12:10.979Z","updated_at":"2023-09-26T17:12:10.979Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/docker/cuda/Dockerfile","dependencies":[{"id":13954397449,"package_name":"python","ecosystem":"docker","requirements":"3.9.17","direct":true,"kind":"build","optional":false}]},{"ecosystem":"pypi","filepath":"pyproject.toml","sha":null,"kind":"manifest","created_at":"2023-09-26T17:12:11.002Z","updated_at":"2023-09-26T17:12:11.002Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/pyproject.toml","dependencies":[]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2023-09-26T17:12:11.033Z","updated_at":"2023-09-26T17:12:11.033Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/setup.py","dependencies":[]},{"ecosystem":"rubygems","filepath":"docs/Gemfile","sha":null,"kind":"manifest","created_at":"2023-09-26T17:12:11.044Z","updated_at":"2023-09-26T17:12:11.044Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/docs/Gemfile","dependencies":[{"id":13954397450,"package_name":"minima","ecosystem":"rubygems","requirements":"~\u003e 2.5","direct":true,"kind":"runtime","optional":false},{"id":13954397451,"package_name":"github-pages","ecosystem":"rubygems","requirements":"\u003e= 0","direct":true,"kind":"development","optional":false},{"id":13954397452,"package_name":"jekyll-feed","ecosystem":"rubygems","requirements":"~\u003e 0.12","direct":true,"kind":"development","optional":false},{"id":13954397453,"package_name":"tzinfo","ecosystem":"rubygems","requirements":"\u003e= 1, \u003c 3","direct":true,"kind":"runtime","optional":false},{"id":13954397454,"package_name":"tzinfo-data","ecosystem":"rubygems","requirements":"\u003e= 0","direct":true,"kind":"runtime","optional":false},{"id":13954397455,"package_name":"wdm","ecosystem":"rubygems","requirements":"~\u003e 0.1.1","direct":true,"kind":"runtime","optional":false},{"id":13954397456,"package_name":"http_parser.rb","ecosystem":"rubygems","requirements":"~\u003e 0.6.0","direct":true,"kind":"runtime","optional":false},{"id":13954397457,"package_name":"webrick","ecosystem":"rubygems","requirements":"~\u003e 1.8","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"rubygems","filepath":"docs/Gemfile.lock","sha":null,"kind":"lockfile","created_at":"2023-09-26T17:12:11.067Z","updated_at":"2023-09-26T17:12:11.067Z","repository_link":"https://github.com/materialsvirtuallab/matgl/blob/main/docs/Gemfile.lock","dependencies":[{"id":13954397458,"package_name":"activesupport","ecosystem":"rubygems","requirements":"7.0.7.2","direct":false,"kind":"runtime","optional":false},{"id":13954397459,"package_name":"addressable","ecosystem":"rubygems","requirements":"2.8.4","direct":false,"kind":"runtime","optional":false},{"id":13954397460,"package_name":"coffee-script","ecosystem":"rubygems","requirements":"2.4.1","direct":false,"kind":"runtime","optional":false},{"id":13954397461,"package_name":"coffee-script-source","ecosystem":"rubygems","requirements":"1.11.1","direct":false,"kind":"runtime","optional":false},{"id":13954397462,"package_name":"colorator","ecosystem":"rubygems","requirements":"1.1.0","direct":false,"kind":"runtime","optional":false},{"id":13954397463,"package_name":"commonmarker","ecosystem":"rubygems","requirements":"0.23.10","direct":false,"kind":"runtime","optional":false},{"id":13954397464,"package_name":"concurrent-ruby","ecosystem":"rubygems","requirements":"1.2.2","direct":false,"kind":"runtime","optional":false},{"id":13954397465,"package_name":"dnsruby","ecosystem":"rubygems","requirements":"1.70.0","direct":false,"kind":"runtime","optional":false},{"id":13954397466,"package_name":"em-websocket","ecosystem":"rubygems","requirements":"0.5.3","direct":false,"kind":"runtime","optional":false},{"id":13954397467,"package_name":"ethon","ecosystem":"rubygems","requirements":"0.16.0","direct":false,"kind":"runtime","optional":false},{"id":13954397468,"package_name":"eventmachine","ecosystem":"rubygems","requirements":"1.2.7","direct":false,"kind":"runtime","optional":false},{"id":13954397469,"package_name":"execjs","ecosystem":"rubygems","requirements":"2.8.1","direct":false,"kind":"runtime","optional":false},{"id":13954397470,"package_name":"faraday","ecosystem":"rubygems","requirements":"2.7.6","direct":false,"kind":"runtime","optional":false},{"id":13954397471,"package_name":"faraday-net_http","ecosystem":"rubygems","requirements":"3.0.2","direct":false,"kind":"runtime","optional":false},{"id":13954397472,"package_name":"ffi","ecosystem":"rubygems","requirements":"1.15.5","direct":false,"kind":"runtime","optional":false},{"id":13954397473,"package_name":"forwardable-extended","ecosystem":"rubygems","requirements":"2.6.0","direct":false,"kind":"runtime","optional":false},{"id":13954397474,"package_name":"gemoji","ecosystem":"rubygems","requirements":"3.0.1","direct":false,"kind":"runtime","optional":false},{"id":13954397475,"package_name":"github-pages","ecosystem":"rubygems","requirements":"228","direct":false,"kind":"runtime","optional":false},{"id":13954397476,"package_name":"github-pages-health-check","ecosystem":"rubygems","requirements":"1.17.9","direct":false,"kind":"runtime","optional":false},{"id":13954397477,"package_name":"html-pipeline","ecosystem":"rubygems","requirements":"2.14.3","direct":false,"kind":"runtime","optional":false},{"id":13954397478,"package_name":"http_parser.rb","ecosystem":"rubygems","requirements":"0.8.0","direct":false,"kind":"runtime","optional":false},{"id":13954397479,"package_name":"i18n","ecosystem":"rubygems","requirements":"1.14.1","direct":false,"kind":"runtime","optional":false},{"id":13954397480,"package_name":"jekyll","ecosystem":"rubygems","requirements":"3.9.3","direct":false,"kind":"runtime","optional":false},{"id":13954397481,"package_name":"jekyll-avatar","ecosystem":"rubygems","requirements":"0.7.0","direct":false,"kind":"runtime","optional":false},{"id":13954397482,"package_name":"jekyll-coffeescript","ecosystem":"rubygems","requirements":"1.1.1","direct":false,"kind":"runtime","optional":false},{"id":13954397483,"package_name":"jekyll-commonmark","ecosystem":"rubygems","requirements":"1.4.0","direct":false,"kind":"runtime","optional":false},{"id":13954397484,"package_name":"jekyll-commonmark-ghpages","ecosystem":"rubygems","requirements":"0.4.0","direct":false,"kind":"runtime","optional":false},{"id":13954397485,"package_name":"jekyll-default-layout","ecosystem":"rubygems","requirements":"0.1.4","direct":false,"kind":"runtime","optional":false},{"id":13954397486,"package_name":"jekyll-feed","ecosystem":"rubygems","requirements":"0.15.1","direct":false,"kind":"runtime","optional":false},{"id":13954397487,"package_name":"jekyll-gist","ecosystem":"rubygems","requirements":"1.5.0","direct":false,"kind":"runtime","optional":false},{"id":13954397488,"package_name":"jekyll-github-metadata","ecosystem":"rubygems","requirements":"2.13.0","direct":false,"kind":"runtime","optional":false},{"id":13954397489,"package_name":"jekyll-include-cache","ecosystem":"rubygems","requirements":"0.2.1","direct":false,"kind":"runtime","optional":false},{"id":13954397490,"package_name":"jekyll-mentions","ecosystem":"rubygems","requirements":"1.6.0","direct":false,"kind":"runtime","optional":false},{"id":13954397491,"package_name":"jekyll-optional-front-matter","ecosystem":"rubygems","requirements":"0.3.2","direct":false,"kind":"runtime","optional":false},{"id":13954397492,"package_name":"jekyll-paginate","ecosystem":"rubygems","requirements":"1.1.0","direct":false,"kind":"runtime","optional":false},{"id":13954397493,"package_name":"jekyll-readme-index","ecosystem":"rubygems","requirements":"0.3.0","direct":false,"kind":"runtime","optional":false},{"id":13954397494,"package_name":"jekyll-redirect-from","ecosystem":"rubygems","requirements":"0.16.0","direct":false,"kind":"runtime","optional":false},{"id":13954397495,"package_name":"jekyll-relative-links","ecosystem":"rubygems","requirements":"0.6.1","direct":false,"kind":"runtime","optional":false},{"id":13954397496,"package_name":"jekyll-remote-theme","ecosystem":"rubygems","requirements":"0.4.3","direct":false,"kind":"runtime","optional":false},{"id":13954397497,"package_name":"jekyll-sass-converter","ecosystem":"rubygems","requirements":"1.5.2","direct":false,"kind":"runtime","optional":false},{"id":13954397498,"package_name":"jekyll-seo-tag","ecosystem":"rubygems","requirements":"2.8.0","direct":false,"kind":"runtime","optional":false},{"id":13954397499,"package_name":"jekyll-sitemap","ecosystem":"rubygems","requirements":"1.4.0","direct":false,"kind":"runtime","optional":false},{"id":13954397500,"package_name":"jekyll-swiss","ecosystem":"rubygems","requirements":"1.0.0","direct":false,"kind":"runtime","optional":false},{"id":13954397501,"package_name":"jekyll-theme-architect","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397502,"package_name":"jekyll-theme-cayman","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397503,"package_name":"jekyll-theme-dinky","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397504,"package_name":"jekyll-theme-hacker","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397505,"package_name":"jekyll-theme-leap-day","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397506,"package_name":"jekyll-theme-merlot","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397507,"package_name":"jekyll-theme-midnight","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397508,"package_name":"jekyll-theme-minimal","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397509,"package_name":"jekyll-theme-modernist","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397510,"package_name":"jekyll-theme-primer","ecosystem":"rubygems","requirements":"0.6.0","direct":false,"kind":"runtime","optional":false},{"id":13954397511,"package_name":"jekyll-theme-slate","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397512,"package_name":"jekyll-theme-tactile","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397513,"package_name":"jekyll-theme-time-machine","ecosystem":"rubygems","requirements":"0.2.0","direct":false,"kind":"runtime","optional":false},{"id":13954397514,"package_name":"jekyll-titles-from-headings","ecosystem":"rubygems","requirements":"0.5.3","direct":false,"kind":"runtime","optional":false},{"id":13954397515,"package_name":"jekyll-watch","ecosystem":"rubygems","requirements":"2.2.1","direct":false,"kind":"runtime","optional":false},{"id":13954397516,"package_name":"jemoji","ecosystem":"rubygems","requirements":"0.12.0","direct":false,"kind":"runtime","optional":false},{"id":13954397517,"package_name":"kramdown","ecosystem":"rubygems","requirements":"2.3.2","direct":false,"kind":"runtime","optional":false},{"id":13954397518,"package_name":"kramdown-parser-gfm","ecosystem":"rubygems","requirements":"1.1.0","direct":false,"kind":"runtime","optional":false},{"id":13954397519,"package_name":"liquid","ecosystem":"rubygems","requirements":"4.0.4","direct":false,"kind":"runtime","optional":false},{"id":13954397520,"package_name":"listen","ecosystem":"rubygems","requirements":"3.8.0","direct":false,"kind":"runtime","optional":false},{"id":13954397521,"package_name":"mercenary","ecosystem":"rubygems","requirements":"0.3.6","direct":false,"kind":"runtime","optional":false},{"id":13954397522,"package_name":"minima","ecosystem":"rubygems","requirements":"2.5.1","direct":false,"kind":"runtime","optional":false},{"id":13954397523,"package_name":"minitest","ecosystem":"rubygems","requirements":"5.19.0","direct":false,"kind":"runtime","optional":false},{"id":13954397524,"package_name":"nokogiri","ecosystem":"rubygems","requirements":"1.15.2","direct":false,"kind":"runtime","optional":false},{"id":13954397525,"package_name":"octokit","ecosystem":"rubygems","requirements":"4.25.1","direct":false,"kind":"runtime","optional":false},{"id":13954397526,"package_name":"pathutil","ecosystem":"rubygems","requirements":"0.16.2","direct":false,"kind":"runtime","optional":false},{"id":13954397527,"package_name":"public_suffix","ecosystem":"rubygems","requirements":"4.0.7","direct":false,"kind":"runtime","optional":false},{"id":13954397528,"package_name":"racc","ecosystem":"rubygems","requirements":"1.7.0","direct":false,"kind":"runtime","optional":false},{"id":13954397529,"package_name":"rb-fsevent","ecosystem":"rubygems","requirements":"0.11.2","direct":false,"kind":"runtime","optional":false},{"id":13954397530,"package_name":"rb-inotify","ecosystem":"rubygems","requirements":"0.10.1","direct":false,"kind":"runtime","optional":false},{"id":13954397531,"package_name":"rexml","ecosystem":"rubygems","requirements":"3.2.5","direct":false,"kind":"runtime","optional":false},{"id":13954397532,"package_name":"rouge","ecosystem":"rubygems","requirements":"3.26.0","direct":false,"kind":"runtime","optional":false},{"id":13954397533,"package_name":"ruby2_keywords","ecosystem":"rubygems","requirements":"0.0.5","direct":false,"kind":"runtime","optional":false},{"id":13954397534,"package_name":"rubyzip","ecosystem":"rubygems","requirements":"2.3.2","direct":false,"kind":"runtime","optional":false},{"id":13954397535,"package_name":"safe_yaml","ecosystem":"rubygems","requirements":"1.0.5","direct":false,"kind":"runtime","optional":false},{"id":13954397536,"package_name":"sass","ecosystem":"rubygems","requirements":"3.7.4","direct":false,"kind":"runtime","optional":false},{"id":13954397537,"package_name":"sass-listen","ecosystem":"rubygems","requirements":"4.0.0","direct":false,"kind":"runtime","optional":false},{"id":13954397538,"package_name":"sawyer","ecosystem":"rubygems","requirements":"0.9.2","direct":false,"kind":"runtime","optional":false},{"id":13954397539,"package_name":"simpleidn","ecosystem":"rubygems","requirements":"0.2.1","direct":false,"kind":"runtime","optional":false},{"id":13954397540,"package_name":"terminal-table","ecosystem":"rubygems","requirements":"1.8.0","direct":false,"kind":"runtime","optional":false},{"id":13954397541,"package_name":"typhoeus","ecosystem":"rubygems","requirements":"1.4.0","direct":false,"kind":"runtime","optional":false},{"id":13954397542,"package_name":"tzinfo","ecosystem":"rubygems","requirements":"2.0.6","direct":false,"kind":"runtime","optional":false},{"id":13954397543,"package_name":"unf","ecosystem":"rubygems","requirements":"0.1.4","direct":false,"kind":"runtime","optional":false},{"id":13954397544,"package_name":"unf_ext","ecosystem":"rubygems","requirements":"0.0.8.2","direct":false,"kind":"runtime","optional":false},{"id":13954397545,"package_name":"unicode-display_width","ecosystem":"rubygems","requirements":"1.8.0","direct":false,"kind":"runtime","optional":false},{"id":13954397546,"package_name":"webrick","ecosystem":"rubygems","requirements":"1.8.1","direct":false,"kind":"runtime","optional":false},{"id":13954397547,"package_name":"bundler","ecosystem":"rubygems","requirements":"2.3.26","direct":false,"kind":"runtime","optional":false}]}],"score":18.81563793004897,"created_at":"2025-09-04T15:51:13.370Z","updated_at":"2025-10-07T08:16:02.845Z","avatar_url":"https://github.com/materialsvirtuallab.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":16364,"funding_links":[],"readme_doi_urls":["https://doi.org/10.1038/s41524-025-01742-y"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["materials","pes","machine","properties","spectroscopy","materials-discovery","machine-learning-force-field","distributed","interactive","mesh"],"project_url":"https://science.ecosyste.ms/api/v1/projects/39156","html_url":"https://science.ecosyste.ms/projects/39156"}