MaterialsAtlas Software and Tool

Allegro

mlipequivariantlarge-scaleatomisticcomputational-materials-softwaresoftware-tools

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Scalable local equivariant interatomic potential framework for large atomistic simulations.

Citation: Allegro. Computational materials software/tool. https://github.com/mir-group/allegro

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

TypeSoftware and Tool

DomainEquivariant ML potential

LicenseMIT

Contributorsmir-group/allegro