pymace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
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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.
About
Summary
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Last Updated
Aug 11, 2025 at 20:05
License
MIT
Total Downloads
21.7K
Supported Platforms
noarch
GitHub Repository
https://github.com/ACEsuit/maceDocumentation
https://github.com/ACEsuit/mace