mir-group/allegro · AI Repo StatsMImir-group/allegro
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
Huấn luyện & fine-tunePython MIT 76tạo 2022-02-06 #atomistic-simulations#computational-chemistry#deep-learning#drug-discovery#force-fields#interatomic-potentials#machine-learning#materials-science#molecular-dynamics#pytorch