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Duke University
- Durham, NC
- https://orcid.org/0000-0002-9947-0277
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materialsproject/pymatgen
materialsproject/pymatgen PublicPython Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
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rss-disorder-detection
rss-disorder-detection PublicHandles data processing of AIRSS results and idenitifies regions or phases of disorder using cluster analysis on the density of structures in some metric space.
Python
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