Closed kntkb closed 9 months ago
MACE gihub code Evaluation of the MACE force field architecture: From medicinal chemistry to materials science, JCP 2023 MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields, arXiv 2023
related paper referred in the original paper:
https://www.nature.com/articles/s41467-020-16201-z https://github.com/NREL/alfabet
MACE gihub code Evaluation of the MACE force field architecture: From medicinal chemistry to materials science, JCP 2023 MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields, arXiv 2023