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DiffCSP

crystal-structure-predictiondiffusionequivariant-modelgenerationopen-source-code
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Implementation of crystal structure prediction by joint equivariant diffusion for generating candidate crystal structures.

Citation: jiaor17/DiffCSP. Open-source code repository. https://github.com/jiaor17/DiffCSP

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

TypeCode
DomainCrystal structure prediction
LicenseMIT
Contributorsjiaor17