pymace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
To install this package, run one of the following:
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.
Summary
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Last Updated
Apr 3, 2025 at 21:05
License
MIT
Total Downloads
62
Supported Platforms
GitHub Repository
https://github.com/ACEsuit/maceDocumentation
https://github.com/ACEsuit/mace