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pymatgen
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Python 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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teachopencadd
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VASP-DFT-Tutorial
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turbomoleio
turbomoleio PublicForked from Matgenix/turbomoleio
Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
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