mir-group / nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

Date Created 2021-03-15 (3 years ago)

Commits 1,876 (last one about a month ago)

Stargazers 655 (1 this week)

Watchers 23 (0 this week)

Forks 143

License mit

Ranking

RepositoryStats indexes 595,890 repositories, of these mir-group/nequip is ranked #74,501 (87th percentile) for total stargazers, and #96,570 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #11,950/119,419.

mir-group/nequip is also tagged with popular topics, for these it's ranked: deep-learning (#1,743/8511), machine-learning (#1,743/8062), pytorch (#1,146/6025), molecular-dynamics (#9/120), drug-discovery (#13/120), computational-chemistry (#7/106)

Other Information

mir-group/nequip has 5 open pull requests on Github, 144 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 24 open issues and 71 closed issues.

There have been 16 releases, the latest one was published on 2024-07-09 (5 months ago) with the name 0.6.1.

Homepage URL: https://www.nature.com/articles/s41467-022-29939-5

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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Github watchers over time, collection started in '23

Recent Commit History

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

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Languages

The only known language in this repository is Python

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updated: 2024-12-20 @ 05:57pm, id: 348154786 / R_kgDOFMBrog