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CrySPR

pre-relaxationmlipcrystal-structure-predictionpythonopen-source-code
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Python interface for crystal structure pre-relaxation and prediction using machine-learning interatomic potentials.

Citation: Tosykie/CrySPR. Open-source code repository. https://github.com/Tosykie/CrySPR

Acknowledgement: Curated by MaterialsAtlas Open Resources from public project metadata and maintainer repositories.

TypeCode
DomainCrystal structure prediction
LicenseMIT
ContributorsTosykie