mir-group / nequip

git clone https://github.com/mir-group/nequip.git

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

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Star history starts 2026-10-20; the chart appears after the second daily snapshot.

LanguagePython

LicenseMIT

Created2021-03-15 (5y ago)

Last push1d ago

OwnerOrganization

GitHub topics

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

Links

GitHub: github.com/mir-group/nequip
Homepage: https://pubs.rsc.org/en/content/articlehtml/2026/dd/d5dd00423c
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