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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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random-exchange-atoms
random-exchange-atoms PublicIn this package, you can exchange atoms in crystal structures randomly with pymatgen.
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amset
amset PublicForked from hackingmaterials/amset
Electronic transport properties from first-principles calculations
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atomate
atomate PublicForked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
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