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Author:
None
Summary:
Calculators for materials properties from the potential energy surface.
Latest version:
0.5.1
Required dependencies:
ase
|
huggingface-hub
|
joblib
|
phono3py
|
phonopy
|
pymatgen
|
scikit-learn
Optional dependencies:
codecov-cli
|
coverage
|
coveralls
|
deepmd-kit
|
fairchem-core
|
ipython
|
jupyter
|
mace-torch
|
maml
|
matgl
|
matminer
|
mattersim
|
mp-api
|
nbmake
|
orb-models
|
pet-mad
|
pre-commit
|
pynanoflann
|
pytest
|
pytest-cov
|
seekpath
|
setuptools
|
sevenn
|
tensorpotential
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