{"id":13354,"name":"matsciml","description":"Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lightning, the Deep Graph Library, and PyTorch Geometric.","url":"https://github.com/intellabs/matsciml","last_synced_at":"2025-09-04T22:02:53.498Z","repository":{"id":63439221,"uuid":"536298092","full_name":"IntelLabs/matsciml","owner":"IntelLabs","description":"Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lightning, the Deep Graph Library, and PyTorch Geometric.","archived":false,"fork":false,"pushed_at":"2025-03-24T15:37:05.000Z","size":37682,"stargazers_count":175,"open_issues_count":31,"forks_count":29,"subscribers_count":6,"default_branch":"main","last_synced_at":"2025-07-08T16:46:46.056Z","etag":null,"topics":["ai","dgl","pytorch","pytorch-lightning"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/IntelLabs.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.md","code_of_conduct":null,"threat_model":null,"audit":null,"citation":"CITATION.cff","codeowners":null,"security":"Security.md","support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2022-09-13T20:27:28.000Z","updated_at":"2025-07-07T00:38:06.000Z","dependencies_parsed_at":"2024-02-12T23:30:46.788Z","dependency_job_id":"b7698dcf-8e2b-4935-8cdb-206b11a50fe2","html_url":"https://github.com/IntelLabs/matsciml","commit_stats":null,"previous_names":[],"tags_count":2,"template":false,"template_full_name":null,"purl":"pkg:github/IntelLabs/matsciml","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/IntelLabs%2Fmatsciml","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/IntelLabs%2Fmatsciml/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/IntelLabs%2Fmatsciml/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/IntelLabs%2Fmatsciml/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/IntelLabs","download_url":"https://codeload.github.com/IntelLabs/matsciml/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/IntelLabs%2Fmatsciml/sbom","scorecard":{"id":66963,"data":{"date":"2025-08-11","repo":{"name":"github.com/IntelLabs/matsciml","commit":"66b52803eb52c0b8be7349595446051bc54da1f7"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":6.4,"checks":[{"name":"Code-Review","score":10,"reason":"all changesets reviewed","details":null,"documentation":{"short":"Determines if the project requires human code review before pull requests (aka merge requests) are merged.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#code-review"}},{"name":"Security-Policy","score":10,"reason":"security policy file detected","details":["Info: security policy file detected: Security.md:1","Info: Found linked content: Security.md:1","Info: Found disclosure, vulnerability, and/or timelines in security policy: Security.md:1","Info: Found text in security policy: Security.md:1"],"documentation":{"short":"Determines if the project has published a security policy.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#security-policy"}},{"name":"CII-Best-Practices","score":0,"reason":"no effort to earn an OpenSSF best practices badge detected","details":null,"documentation":{"short":"Determines if the project has an OpenSSF (formerly CII) Best Practices Badge.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#cii-best-practices"}},{"name":"Dangerous-Workflow","score":10,"reason":"no dangerous workflow patterns detected","details":null,"documentation":{"short":"Determines if the project's GitHub Action workflows avoid dangerous patterns.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#dangerous-workflow"}},{"name":"Maintained","score":0,"reason":"0 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 0","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"name":"Token-Permissions","score":10,"reason":"GitHub workflow tokens follow principle of least privilege","details":["Info: found token with 'none' permissions: .github/workflows/make_env.yml:1","Info: found token with 'none' permissions: .github/workflows/pre-commit-action.yml:1","Info: found token with 'none' permissions: .github/workflows/run_pytest_datasets.yml:1","Info: found token with 'none' permissions: .github/workflows/run_pytest_endtoend.yml:1","Info: found token with 'none' permissions: .github/workflows/run_pytest_interfaces.yml:1","Info: found token with 'none' permissions: .github/workflows/run_pytest_lightning.yml:1","Info: found token with 'none' permissions: .github/workflows/run_pytest_models.yml:1","Info: found token with 'none' permissions: .github/workflows/run_pytest_repo.yml:1","Info: no jobLevel write permissions found"],"documentation":{"short":"Determines if the project's workflows follow the principle of least privilege.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#token-permissions"}},{"name":"Packaging","score":-1,"reason":"packaging workflow not detected","details":["Warn: no GitHub/GitLab publishing workflow detected."],"documentation":{"short":"Determines if the project is published as a package that others can easily download, install, easily update, and uninstall.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#packaging"}},{"name":"Binary-Artifacts","score":10,"reason":"no binaries found in the repo","details":null,"documentation":{"short":"Determines if the project has generated executable (binary) artifacts in the source repository.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#binary-artifacts"}},{"name":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE.md:0","Info: FSF or OSI recognized license: MIT License: LICENSE.md:0"],"documentation":{"short":"Determines if the project has defined a license.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#license"}},{"name":"Vulnerabilities","score":10,"reason":"0 existing vulnerabilities detected","details":null,"documentation":{"short":"Determines if the project has open, known unfixed vulnerabilities.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#vulnerabilities"}},{"name":"Fuzzing","score":0,"reason":"project is not fuzzed","details":["Warn: no fuzzer integrations found"],"documentation":{"short":"Determines if the project uses fuzzing.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#fuzzing"}},{"name":"Signed-Releases","score":-1,"reason":"no releases found","details":null,"documentation":{"short":"Determines if the project cryptographically signs release artifacts.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#signed-releases"}},{"name":"Branch-Protection","score":5,"reason":"branch protection is not maximal on development and all release branches","details":["Info: 'allow deletion' disabled on branch 'main'","Info: 'force pushes' disabled on branch 'main'","Warn: 'branch protection settings apply to administrators' is disabled on branch 'main'","Warn: 'stale review dismissal' is disabled on branch 'main'","Warn: required approving review count is 1 on branch 'main'","Warn: codeowners review is required - but no codeowners file found in repo","Warn: 'last push approval' is disabled on branch 'main'","Warn: no status checks found to merge onto branch 'main'","Info: PRs are required in order to make changes on branch 'main'"],"documentation":{"short":"Determines if the default and release branches are protected with GitHub's branch protection settings.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#branch-protection"}},{"name":"SAST","score":0,"reason":"SAST tool is not run on all commits -- score normalized to 0","details":["Warn: 0 commits out of 30 are checked with a SAST tool"],"documentation":{"short":"Determines if the project uses static code analysis.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#sast"}},{"name":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/make_env.yml:11: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/make_env.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/make_env.yml:13: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/make_env.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/pre-commit-action.yml:15: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/pre-commit-action.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/pre-commit-action.yml:18: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/pre-commit-action.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/pre-commit-action.yml:24: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/pre-commit-action.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/run_pytest_datasets.yml:16: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_datasets.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/run_pytest_datasets.yml:18: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_datasets.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/run_pytest_endtoend.yml:21: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_endtoend.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/run_pytest_endtoend.yml:23: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_endtoend.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/run_pytest_interfaces.yml:15: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_interfaces.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/run_pytest_interfaces.yml:17: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_interfaces.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/run_pytest_lightning.yml:15: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_lightning.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/run_pytest_lightning.yml:17: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_lightning.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/run_pytest_models.yml:15: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_models.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/run_pytest_models.yml:17: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_models.yml/main?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/run_pytest_repo.yml:12: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_repo.yml/main?enable=pin","Warn: third-party GitHubAction not pinned by hash: .github/workflows/run_pytest_repo.yml:14: update your workflow using https://app.stepsecurity.io/secureworkflow/IntelLabs/matsciml/run_pytest_repo.yml/main?enable=pin","Warn: containerImage not pinned by hash: Dockerfile.xpu:1","Warn: containerImage not pinned by hash: docker/Dockerfile:6","Warn: containerImage not pinned by hash: docker/Dockerfile.xpu:1","Warn: containerImage not pinned by hash: docker/Dockerfile.xpu:39","Warn: pipCommand not pinned by hash: Dockerfile.xpu:7","Warn: pipCommand not pinned by hash: Dockerfile.xpu:11","Warn: pipCommand not pinned by hash: Dockerfile.xpu:17","Warn: pipCommand not pinned by hash: docker/Dockerfile:47","Warn: pipCommand not pinned by hash: docker/Dockerfile:48-52","Warn: pipCommand not pinned by hash: docker/Dockerfile:54","Warn: pipCommand not pinned by hash: docker/Dockerfile:55","Warn: pipCommand not pinned by hash: docker/Dockerfile:56","Warn: pipCommand not pinned by hash: docker/Dockerfile:57","Warn: pipCommand not pinned by hash: docker/Dockerfile:58","Warn: pipCommand not pinned by hash: docker/Dockerfile:59","Warn: pipCommand not pinned by hash: docker/Dockerfile:60","Warn: pipCommand not pinned by hash: docker/Dockerfile:61","Warn: pipCommand not pinned by hash: docker/Dockerfile:62","Warn: pipCommand not pinned by hash: docker/Dockerfile:63","Warn: pipCommand not pinned by hash: docker/Dockerfile:64","Warn: pipCommand not pinned by hash: docker/Dockerfile:65","Warn: pipCommand not pinned by hash: docker/Dockerfile:66","Warn: pipCommand not pinned by hash: docker/Dockerfile:67","Warn: pipCommand not pinned by hash: docker/Dockerfile:68","Warn: pipCommand not pinned by hash: docker/Dockerfile:69","Warn: pipCommand not pinned by hash: docker/Dockerfile:70","Warn: pipCommand not pinned by hash: docker/Dockerfile:71","Warn: pipCommand not pinned by hash: docker/Dockerfile:72","Warn: pipCommand not pinned by hash: docker/Dockerfile:73","Warn: pipCommand not pinned by hash: docker/Dockerfile:74","Warn: pipCommand not pinned by hash: docker/Dockerfile:75","Warn: pipCommand not pinned by hash: docker/Dockerfile:77","Warn: pipCommand not pinned by hash: docker/Dockerfile:78","Warn: pipCommand not pinned by hash: docker/Dockerfile:79","Warn: pipCommand not pinned by hash: docker/Dockerfile:80","Warn: pipCommand not pinned by hash: docker/Dockerfile:81","Warn: pipCommand not pinned by hash: docker/Dockerfile:82","Warn: pipCommand not pinned by hash: docker/Dockerfile:83","Warn: pipCommand not pinned by hash: docker/Dockerfile:84","Warn: pipCommand not pinned by hash: docker/Dockerfile:86","Warn: pipCommand not pinned by hash: docker/Dockerfile:87","Warn: pipCommand not pinned by hash: docker/Dockerfile:88","Warn: pipCommand not pinned by hash: docker/Dockerfile:91","Warn: pipCommand not pinned by hash: docker/Dockerfile.xpu:46-48","Warn: pipCommand not pinned by hash: docker/Dockerfile.xpu:46-48","Warn: pipCommand not pinned by hash: .github/workflows/pre-commit-action.yml:24","Info:   0 out of   9 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   8 third-party GitHubAction dependencies pinned","Info:   0 out of  42 pipCommand dependencies pinned","Info:   0 out of   4 containerImage dependencies pinned"],"documentation":{"short":"Determines if the project has declared and pinned the dependencies of its build process.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#pinned-dependencies"}}]},"last_synced_at":"2025-08-15T02:48:18.154Z","repository_id":63439221,"created_at":"2025-08-15T02:48:18.154Z","updated_at":"2025-08-15T02:48:18.154Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":273679591,"owners_count":25148629,"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":{"login":"IntelLabs","name":"Intel Labs","uuid":"1492758","kind":"organization","description":"","email":null,"website":"http://www.intel.com/intellabs/","location":"Around the globe","twitter":null,"company":null,"icon_url":"https://avatars.githubusercontent.com/u/1492758?v=4","repositories_count":67,"last_synced_at":"2023-03-29T04:03:07.843Z","metadata":{"has_sponsors_listing":false},"html_url":"https://github.com/IntelLabs","funding_links":[],"total_stars":null,"followers":null,"following":null,"created_at":"2022-11-04T04:29:22.256Z","updated_at":"2023-03-29T04:03:08.416Z","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/IntelLabs","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/IntelLabs/repositories"},"packages":[],"commits":{"id":5432566,"full_name":"intellabs/matsciml","default_branch":"main","committers":[{"name":"Lee, Kin Long Kelvin","email":"kin.long.kelvin.lee@intel.com","login":"laserkelvin","count":2090},{"name":"Gonzales, Carmelo","email":"carmelo.gonzales@intel.com","login":"melo-gonzo","count":324},{"name":"Vaibhav525","email":"vaibhav.bihani525@gmail.com","login":"Vaibhav525","count":29},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]","login":"dependabot[bot]","count":25},{"name":"JonathanSchmidt1","email":"schmidt.jonathan138@googlemail.com","login":"JonathanSchmidt1","count":25},{"name":"Galkin, Mikhail","email":"mikhail.galkin@intel.com","login":"migalkin","count":24},{"name":"santiago.miret","email":"smiret@aipg-ra-skx-03.ra.intel.com","login":null,"count":6},{"name":"smiret-intel","email":"santiago.miret@intel.com","login":"smiret-intel","count":5},{"name":"lory-w","email":"xiaoxiao.wang@intel.com","login":"lory-w","count":4},{"name":"Eric Fuemmeler","email":"efuemmel@Erics-MacBook-Pro.local","login":null,"count":4},{"name":"Michael Beale","email":"michael.beale@intel.com","login":"michaelbeale-IL","count":3},{"name":"santiago.miret","email":"smiret@aipg-ra-gpu-77.ra.intel.com","login":null,"count":1}],"total_commits":2540,"total_committers":12,"total_bot_commits":25,"total_bot_committers":1,"mean_commits":211.66666666666666,"dds":0.17716535433070868,"past_year_committers":[{"name":"Lee, Kin Long Kelvin","email":"kin.long.kelvin.lee@intel.com","login":"laserkelvin","count":542},{"name":"Gonzales, Carmelo","email":"carmelo.gonzales@intel.com","login":"melo-gonzo","count":67},{"name":"dependabot[bot]","email":"49699333+dependabot[bot]","login":"dependabot[bot]","count":5},{"name":"lory-w","email":"xiaoxiao.wang@intel.com","login":"lory-w","count":4},{"name":"Michael Beale","email":"michael.beale@intel.com","login":"michaelbeale-IL","count":1}],"past_year_total_commits":619,"past_year_total_committers":5,"past_year_total_bot_commits":5,"past_year_total_bot_committers":1,"past_year_mean_commits":123.8,"past_year_dds":0.12439418416801296,"last_synced_at":"2025-05-20T08:41:47.473Z","last_synced_commit":"66b52803eb52c0b8be7349595446051bc54da1f7","created_at":"2024-11-13T04:19:09.341Z","updated_at":"2025-05-20T08:41:48.538Z","commits_url":"https://commits.ecosyste.ms/api/v1/hosts/GitHub/repositories/intellabs%2Fmatsciml/commits","host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-04T00:00:25.936Z","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":"intellabs/matsciml","html_url":"https://github.com/intellabs/matsciml","last_synced_at":"2025-08-31T09:21:53.496Z","status":null,"issues_count":46,"pull_requests_count":177,"avg_time_to_close_issue":5503425.607142857,"avg_time_to_close_pull_request":1171698.6768292682,"issues_closed_count":28,"pull_requests_closed_count":164,"pull_request_authors_count":9,"issue_authors_count":6,"avg_comments_per_issue":0.6521739130434783,"avg_comments_per_pull_request":0.807909604519774,"merged_pull_requests_count":103,"bot_issues_count":0,"bot_pull_requests_count":74,"past_year_issues_count":9,"past_year_pull_requests_count":53,"past_year_avg_time_to_close_issue":348524.0,"past_year_avg_time_to_close_pull_request":864679.8222222222,"past_year_issues_closed_count":4,"past_year_pull_requests_closed_count":45,"past_year_pull_request_authors_count":3,"past_year_issue_authors_count":1,"past_year_avg_comments_per_issue":0.0,"past_year_avg_comments_per_pull_request":0.6037735849056604,"past_year_bot_issues_count":0,"past_year_bot_pull_requests_count":24,"past_year_merged_pull_requests_count":29,"created_at":"2024-11-13T04:19:09.716Z","updated_at":"2025-09-03T05:24:00.928Z","repository_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/intellabs%2Fmatsciml","issues_url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/repositories/intellabs%2Fmatsciml/issues","issue_labels_count":{"bug":29,"enhancement":26,"ux":11,"models":8,"code maintenance":8,"data":7,"good first issue":7,"documentation":5,"needs triage":4,"python":3,"training":3,"dependencies":2,"inference":2},"pull_request_labels_count":{"dependencies":163,"python":145,"bug":50,"enhancement":43,"training":28,"code maintenance":26,"data":26,"documentation":26,"ux":25,"models":18,"needs triage":11,"inference":8,"performance":2,"help wanted":2},"issue_author_associations_count":{"COLLABORATOR":57,"CONTRIBUTOR":8,"NONE":3},"pull_request_author_associations_count":{"COLLABORATOR":205,"CONTRIBUTOR":156,"NONE":4},"issue_authors":{"laserkelvin":50,"melo-gonzo":7,"JonathanSchmidt1":6,"dependabot[bot]":2,"bmuaz":1,"chaitjo":1,"lory-w":1},"pull_request_authors":{"dependabot[bot]":146,"laserkelvin":127,"melo-gonzo":77,"JonathanSchmidt1":4,"lory-w":4,"Vaibhav525":3,"michaelbeale-IL":2,"smiret-intel":1,"EFuem":1},"host":{"name":"GitHub","url":"https://github.com","kind":"github","last_synced_at":"2025-09-03T00:00:08.273Z","repositories_count":10058126,"issues_count":30987467,"pull_requests_count":93684777,"authors_count":10684820,"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,"enhancement":4,"code maintenance":1,"ux":1,"inference":1},"past_year_pull_request_labels_count":{"dependencies":38,"python":33,"bug":21,"enhancement":12,"code maintenance":12,"documentation":11,"ux":9,"data":9,"training":7,"inference":3},"past_year_issue_author_associations_count":{"COLLABORATOR":12},"past_year_pull_request_author_associations_count":{"COLLABORATOR":56,"CONTRIBUTOR":34},"past_year_issue_authors":{"laserkelvin":12},"past_year_pull_request_authors":{"laserkelvin":44,"dependabot[bot]":34,"melo-gonzo":12},"maintainers":[{"login":"laserkelvin","count":177,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/laserkelvin"},{"login":"melo-gonzo","count":84,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/melo-gonzo"},{"login":"smiret-intel","count":1,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/smiret-intel"}],"active_maintainers":[{"login":"laserkelvin","count":56,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/laserkelvin"},{"login":"melo-gonzo","count":12,"url":"https://issues.ecosyste.ms/api/v1/hosts/GitHub/authors/melo-gonzo"}]},"events":{"total":{"IssuesEvent":8,"WatchEvent":34,"DeleteEvent":16,"IssueCommentEvent":26,"PushEvent":20,"PullRequestReviewCommentEvent":17,"PullRequestReviewEvent":39,"PullRequestEvent":66,"ForkEvent":8,"CreateEvent":14},"last_year":{"IssuesEvent":8,"WatchEvent":34,"DeleteEvent":16,"IssueCommentEvent":26,"PushEvent":20,"PullRequestReviewCommentEvent":17,"PullRequestReviewEvent":39,"PullRequestEvent":66,"ForkEvent":8,"CreateEvent":14}},"keywords":["ai","dgl","pytorch","pytorch-lightning"],"dependencies":[{"ecosystem":"docker","filepath":"docker/Dockerfile","sha":null,"kind":"manifest","created_at":"2024-01-11T23:15:21.923Z","updated_at":"2024-01-11T23:15:21.923Z","repository_link":"https://github.com/IntelLabs/matsciml/blob/main/docker/Dockerfile","dependencies":[{"id":15560204448,"package_name":"nvidia/cuda","ecosystem":"docker","requirements":"$CUDA_VERSION","direct":true,"kind":"build","optional":false}]},{"ecosystem":"pypi","filepath":"pyproject.toml","sha":null,"kind":"manifest","created_at":"2024-01-11T23:15:21.990Z","updated_at":"2024-01-11T23:15:21.990Z","repository_link":"https://github.com/IntelLabs/matsciml/blob/main/pyproject.toml","dependencies":[{"id":15560204449,"package_name":"psutil","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":15560204450,"package_name":"pytorch_lightning","ecosystem":"pypi","requirements":"==1.8.6","direct":true,"kind":"runtime","optional":false},{"id":15560204451,"package_name":"dgl","ecosystem":"pypi","requirements":"==0.9.1","direct":true,"kind":"runtime","optional":false},{"id":15560204452,"package_name":"dgllife","ecosystem":"pypi","requirements":"==0.3.2","direct":true,"kind":"runtime","optional":false},{"id":15560204969,"package_name":"rdkit","ecosystem":"pypi","requirements":"==2023.3.1","direct":true,"kind":"runtime","optional":false},{"id":15560205736,"package_name":"numba","ecosystem":"pypi","requirements":"\u003e=0.55.0","direct":true,"kind":"runtime","optional":false},{"id":15560205737,"package_name":"numpy","ecosystem":"pypi","requirements":"\u003e=1.21.0","direct":true,"kind":"runtime","optional":false},{"id":15560205738,"package_name":"matplotlib","ecosystem":"pypi","requirements":"*","direct":true,"kind":"runtime","optional":false},{"id":15560205739,"package_name":"munch","ecosystem":"pypi","requirements":"==2.5.0","direct":true,"kind":"runtime","optional":false},{"id":15560205740,"package_name":"lmdb","ecosystem":"pypi","requirements":"==1.3.0","direct":true,"kind":"runtime","optional":false},{"id":15560205741,"package_name":"geometric-algebra-attention","ecosystem":"pypi","requirements":"\u003e=0.3.0","direct":true,"kind":"runtime","optional":false},{"id":15560205744,"package_name":"sympy","ecosystem":"pypi","requirements":"\u003e=1.10.1","direct":true,"kind":"runtime","optional":false},{"id":15560205745,"package_name":"jsonargparse","ecosystem":"pypi","requirements":"[signatures]\u003e=4.13.1","direct":true,"kind":"runtime","optional":false},{"id":15560205746,"package_name":"mp_api","ecosystem":"pypi","requirements":"==0.33.3","direct":true,"kind":"runtime","optional":false},{"id":15560205772,"package_name":"emmet-core","ecosystem":"pypi","requirements":"==0.64.0","direct":true,"kind":"runtime","optional":false},{"id":15560205792,"package_name":"pydantic","ecosystem":"pypi","requirements":"==1.10.12","direct":true,"kind":"runtime","optional":false},{"id":15560205793,"package_name":"pymatgen","ecosystem":"pypi","requirements":"==2023.7.20","direct":true,"kind":"runtime","optional":false},{"id":15560205795,"package_name":"schema","ecosystem":"pypi","requirements":"\u003e=0.7.5","direct":true,"kind":"runtime","optional":false},{"id":15560205796,"package_name":"ase","ecosystem":"pypi","requirements":"\u003e=3.22.1","direct":true,"kind":"runtime","optional":false},{"id":15560205801,"package_name":"matgl","ecosystem":"pypi","requirements":"==0.8.5","direct":true,"kind":"runtime","optional":false},{"id":15560207708,"package_name":"einops","ecosystem":"pypi","requirements":"==0.7.0","direct":true,"kind":"runtime","optional":false},{"id":15560207709,"package_name":"mendeleev","ecosystem":"pypi","requirements":"==0.14.0","direct":true,"kind":"runtime","optional":false},{"id":15560209131,"package_name":"e3nn","ecosystem":"pypi","requirements":"==0.5.1","direct":true,"kind":"runtime","optional":false}]},{"ecosystem":"pypi","filepath":"setup.py","sha":null,"kind":"manifest","created_at":"2024-01-11T23:15:35.934Z","updated_at":"2024-01-11T23:15:35.934Z","repository_link":"https://github.com/IntelLabs/matsciml/blob/main/setup.py","dependencies":[]}],"score":7.812782818577581,"created_at":"2025-09-04T15:50:43.636Z","updated_at":"2025-10-07T08:07:45.005Z","avatar_url":"https://github.com/IntelLabs.png","language":"Python","category":null,"sub_category":null,"monthly_downloads":0,"funding_links":[],"readme_doi_urls":["https://doi.org/10.5281/zenodo.10768743"],"works":{},"citation_counts":{},"total_citations":0,"keywords_from_contributors":["mesh","interactive"],"project_url":"https://science.ecosyste.ms/api/v1/projects/13354","html_url":"https://science.ecosyste.ms/projects/13354","bibtex_url":"https://science.ecosyste.ms/projects/13354/export.bibtex","apalike_url":"https://science.ecosyste.ms/projects/13354/export.apalike"}