mir-group / nequip

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

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

Commits 1,840 (last one 21 days ago)

Stargazers 540 (0 this week)

Watchers 21 (0 this week)

Forks 123

License mit

Ranking

RepositoryStats indexes 523,840 repositories, of these mir-group/nequip is ranked #80,144 (85th percentile) for total stargazers, and #102,749 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #12,606/100,813.

mir-group/nequip is also tagged with popular topics, for these it's ranked: deep-learning (#1,838/7720), machine-learning (#1,823/7264), pytorch (#1,241/5505), molecular-dynamics (#9/102)

Other Information

mir-group/nequip has 3 open pull requests on Github, 138 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 23 open issues and 56 closed issues.

There have been 15 releases, the latest one was published on 2024-05-10 (21 days ago) with the name 0.6.0.

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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Recent Commit History

568 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: 2024-05-31 @ 02:30pm, id: 348154786 / R_kgDOFMBrog