MaterialsAtlas Software and Tool

CRYSPNet

crystal-structure-predictionmachine-learningspace-grouplattice-parameterssoftware-toolsmaterials-science-software

Visit resource Open in MaterialsAtlas Back to software and tool resources

Machine-learning tool for predicting Bravais lattice, space group, and lattice parameters from chemical composition, useful for generating candidate structures for validation and CSP workflows.

Citation: CRYSPNet. Materials science software/tool. https://github.com/AuroraLHT/cryspnet

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

TypeSoftware and Tool

DomainML-assisted crystal prediction

LicenseOpen source

ContributorsAuroraLHT/cryspnet