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pymatgen
pymatgen PublicForked from materialsproject/pymatgen
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 …
Python 1
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quacc
quacc PublicForked from Quantum-Accelerators/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the exascale era.
Python
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