MaterialsAtlas Software and Tool
NequIP
mlipequivariantatomisticproperty-predictioncomputational-materials-softwaresoftware-tools
E(3)-equivariant neural network potential framework for atomistic property prediction and simulations.
Citation: NequIP. Computational materials software/tool. https://github.com/mir-group/nequip
Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, and common computational materials workflows.