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

Allegro ⭐ 169

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

FLAME: a library for atomistic modeling environments

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