{"id":28524374,"url":"https://github.com/metatensor/metatomic","last_synced_at":"2026-02-27T18:26:25.506Z","repository":{"id":286137975,"uuid":"921788319","full_name":"metatensor/metatomic","owner":"metatensor","description":"Atomistic machine learning models you can use everywhere for everything","archived":false,"fork":false,"pushed_at":"2025-07-25T10:11:03.000Z","size":9866,"stargazers_count":16,"open_issues_count":17,"forks_count":3,"subscribers_count":3,"default_branch":"main","last_synced_at":"2025-07-25T16:38:06.148Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":"https://docs.metatensor.org/metatomic/","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/metatensor.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":"CONTRIBUTING.rst","funding":null,"license":"LICENSE","code_of_conduct":"CODE_OF_CONDUCT.md","threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":"AUTHORS","dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2025-01-24T16:08:35.000Z","updated_at":"2025-07-25T10:10:45.000Z","dependencies_parsed_at":"2025-05-05T15:41:36.963Z","dependency_job_id":"42334afd-45dc-40f6-a56a-6932fe800192","html_url":"https://github.com/metatensor/metatomic","commit_stats":null,"previous_names":["metatensor/metatomic"],"tags_count":8,"template":false,"template_full_name":null,"purl":"pkg:github/metatensor/metatomic","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/metatensor%2Fmetatomic","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/metatensor%2Fmetatomic/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/metatensor%2Fmetatomic/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/metatensor%2Fmetatomic/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/metatensor","download_url":"https://codeload.github.com/metatensor/metatomic/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/metatensor%2Fmetatomic/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":270898712,"owners_count":24664704,"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":"2025-08-17T02:00:09.016Z","response_time":129,"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"}},"keywords":[],"created_at":"2025-06-09T10:43:15.982Z","updated_at":"2026-02-27T18:26:25.502Z","avatar_url":"https://github.com/metatensor.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003ch1\u003e\n\u003cp align=\"center\"\u003e\n    \u003cimg src=\"https://raw.githubusercontent.com/metatensor/metatomic/refs/heads/main/docs/static/images/metatomic-horizontal-dark.png\" alt=\"Metatomic logo\" width=\"600\"/\u003e\n\u003c/p\u003e\n\u003c/h1\u003e\n\n\u003ch4 align=\"center\"\u003e\n\n[![tests status](https://img.shields.io/github/checks-status/metatensor/metatomic/main)](https://github.com/metatensor/metatomic/actions?query=branch%3Amain)\n[![documentation](https://img.shields.io/badge/📚_documentation-latest-sucess)](https://docs.metatensor.org/metatomic/)\n[![coverage](https://codecov.io/gh/metatensor/metatomic/branch/main/graph/badge.svg)](https://codecov.io/gh/metatensor/metatomic)\n\u003c/h4\u003e\n\n\n``metatomic`` is a library that defines a common interface between atomistic\nmachine learning models, and atomistic simulation engines. Our main goal is to\ndefine and train models once, and then be able to re-use them across many\ndifferent simulation engines (such as LAMMPS, GROMACS, *etc.*). We strive to\nachieve this goal without imposing any structure on the model itself, and to\nallow any model architecture to be used.\n\n\n## Documentation\n\nFor details, tutorials, and examples, please have a look at our\n[documentation](https://docs.metatensor.org/metatomic/).\n\n\n## Contributors\n\nThanks goes to all people that make metatomic possible:\n\n[![contributors list](https://contrib.rocks/image?repo=metatensor/metatomic)](https://github.com/metatensor/metatomic/graphs/contributors)\n\nWe always welcome new contributors. If you want to help us take a look at our\n[contribution guidelines](CONTRIBUTING.rst) and afterwards you may start with an\nopen issue marked as [good first\nissue](https://github.com/metatensor/metatomic/issues?q=is%3Aissue+is%3Aopen+label%3A%22good+first+issue%22).\n\n\n## Citing metatomic\n\nIf you found ``metatomic`` useful, you can cite its pre-print\n(\u003chttps://doi.org/10.48550/arXiv.2508.15704\u003e) as\n\n```\n@misc{metatomic,\ntitle = {Metatensor and Metatomic: Foundational Libraries for Interoperable Atomistic\nMachine Learning},\nshorttitle = {Metatensor and Metatomic},\nauthor = {Bigi, Filippo and Abbott, Joseph W. and Loche, Philip and Mazitov, Arslan\nand Tisi, Davide and Langer, Marcel F. and Goscinski, Alexander and Pegolo, Paolo\nand Chong, Sanggyu and Goswami, Rohit and Chorna, Sofiia and Kellner, Matthias and\nCeriotti, Michele and Fraux, Guillaume},\nyear = {2025},\nmonth = aug,\npublisher = {arXiv},\ndoi = {10.48550/arXiv.2508.15704},\n}\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmetatensor%2Fmetatomic","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmetatensor%2Fmetatomic","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmetatensor%2Fmetatomic/lists"}