nequip

Repository facts

Stars

971

Forks

219

Open issues and pull requests

5

Primary language

Python

License

MIT License (MIT)

Owner

mir-group · Organization

Created

Mar 15, 2021

Last push

Sep 30, 2026

Topics

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

Rank #6,222 of 9,507 in AI on GitHub, by stars. Data from the GitHub API, fetched Oct 18, 2026; star counts change daily. Stars measure popularity, not quality or safety, and a listing is not an endorsement. How this list is made

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