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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…
Python
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ase
ase PublicForked from yfyh2013/ase
Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
Python
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