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PyMCSP

crystal-structure-predictionmachine-learningdiffractionpythonopen-source-code
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Python and machine-learning implementation for crystal structure prediction and diffraction study.

Citation: polbeni/PyMCSP. Open-source code repository. https://github.com/polbeni/PyMCSP

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

TypeCode
DomainCrystal structure prediction
LicenseMIT
Contributorspolbeni