• License: MIT
• Home: https://github.com/ACEsuit/mace
• Development: https://github.com/ACEsuit/mace
• Documentation: https://github.com/ACEsuit/mace
• 7167 total downloads
• Last upload: 3 months and 9 days ago

Description

MACE provides fast and accurate machine learning interatomic potentials with higher order equivariant message passing. This repository contains the MACE reference implementation developed by Ilyes Batatia, Gregor Simm, and David Kovacs.