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 38 (last one about a year ago)

Stargazers 339 (1 this week)

Watchers 20 (0 this week)

Forks 45

License mit

Ranking

RepositoryStats indexes 579,238 repositories, of these mir-group/allegro is ranked #120,431 (79th percentile) for total stargazers, and #110,375 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #20,376/115,001.

mir-group/allegro is also tagged with popular topics, for these it's ranked: deep-learning (#2,610/8339), machine-learning (#2,507/7866), pytorch (#1,763/5908), molecular-dynamics (#18/114), drug-discovery (#22/112), computational-chemistry (#17/101)

Other Information

mir-group/allegro has Github issues enabled, there are 23 open issues and 15 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

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

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Languages

The only known language in this repository is Python

updated: 2024-11-05 @ 08:38pm, id: 456303287 / R_kgDOGzKitw