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MMonCa
MMonCa PublicForked from MMonCa/MMonCa
Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial growth
C++
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nequip
nequip PublicForked from mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
Python
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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
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