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pymace

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MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Installation

To install this package, run one of the following:

Conda
$conda install mjohnson541::pymace

Usage Tracking

0.3.12
1 / 8 versions selected
Downloads (Last 6 months): 0

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

Apr 3, 2025 at 21:05

License

MIT

Total Downloads

62

Supported Platforms

noarch