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atomate
atomate PublicForked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Python
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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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dfttk
dfttk PublicForked from PhasesResearchLab/dfttk-2021
Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.
Python 4
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spglib
spglib PublicForked from spglib/spglib
C library for finding and handling crystal symmetries
C
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