mir-group / allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Date Created 2022-02-06 (2 years ago)

Commits 39 (last one about a month ago)

Stargazers 364 (3 this week)

Watchers 21 (0 this week)

Forks 46

License mit

Ranking

RepositoryStats indexes 595,890 repositories, of these mir-group/allegro is ranked #116,047 (81st percentile) for total stargazers, and #105,895 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #19,697/119,419.

mir-group/allegro is also tagged with popular topics, for these it's ranked: deep-learning (#2,536/8511), machine-learning (#2,455/8062), pytorch (#1,713/6025), molecular-dynamics (#18/120), drug-discovery (#21/120), computational-chemistry (#16/106)

Other Information

mir-group/allegro has Github issues enabled, there are 21 open issues and 19 closed issues.

Homepage URL: https://www.nature.com/articles/s41467-023-36329-y

All Topics

pytorch force-fields deep-learning drug-discovery machine-learning materials-science molecular-dynamics atomistic-simulations interatomic-potentials computational-chemistry

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Recent Commit History

39 commits on the default branch (main) since jan '22

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Languages

The only known language in this repository is Python

updated: 2024-12-21 @ 11:42am, id: 456303287 / R_kgDOGzKitw