MaterialsAtlas Software and Tool

MACE

mlipequivariantmessage-passingatomisticcomputational-materials-softwaresoftware-tools

Visit resource Open in MaterialsAtlas Back to software and tool resources

Equivariant message-passing framework for accurate machine-learning interatomic potentials.

Citation: MACE. Computational materials software/tool. https://github.com/ACEsuit/mace

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, and common computational materials workflows.

TypeSoftware and Tool

DomainML interatomic potentials

LicenseMIT

ContributorsACEsuit/mace