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.
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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.
Information Last Updated
Aug 7, 2025 at 19:28
License
MIT
Total Downloads
62
Platforms
GitHub Repository
https://github.com/ACEsuit/maceDocumentation
https://github.com/ACEsuit/mace