mir-group/nequip · AI Repo StatsMImir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Training & fine-tuningPython MIT 220created 2021-03-15 #atomistic-simulations#computational-chemistry#deep-learning#drug-discovery#force-fields#interatomic-potentials#machine-learning#materials-science#molecular-dynamics#pytorch