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CrySPY

crystal-structure-predictionstructure-searchpythonoptimizationopen-source-code
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Python crystal structure prediction tool supporting automated searches over candidate structures.

Citation: Tomoki-YAMASHITA/CrySPY. Open-source code repository. https://github.com/Tomoki-YAMASHITA/CrySPY

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

TypeCode
DomainCrystal structure prediction
LicenseMIT
ContributorsTomoki-YAMASHITA