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pymatgen
pymatgen PublicForked from materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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focus_package
focus_package PublicForked from stefsmeets/focus_package
FOCUS package including DLS-76 and KRIBER for structure determination of zeolites
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