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Author:
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License:
MIT License Copyright (c) 2024 Kedar Hippalgaonkar's Materials by Design Lab Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentatio...
Summary:
Python implementation of crystal structure pre-relaxation and predcition (CrySPR).
Latest version:
0.0.2
Required dependencies:
ase
|
chgnet
|
mace-torch
|
matgl
|
pymatgen
|
pyxtal
|
scikit-opt
|
torch
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