openteamsinc
pypi/matcalc
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Package
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Risk Profile
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Legal:
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Package
pypi
matcalc
Version
0.7.0
Last Release Date
12 days ago
License
BSD
Dependencies
ase
>=3.26.0
scikit-learn
>=1.6.1
pymatgen
>=2026.3.23
huggingface-hub
>=0.30.0
joblib
>=1.4.2
phonopy
>=4.2.0
phonon:
seekpath
phonon3:
phono3py
>=4.2.0
benchmark:
matminer
>=0.10.1
defects:
pymatgen-analysis-defects
>=2026.3.20
diffusion:
pymatgen-analysis-diffusion
>=2025.11.15
maml:
maml
>=2025.4.3
matgl:
matgl
>=4.1.0
mace:
mace-torch
>=0.3.15
sevennet:
sevenn
>=0.13.0
grace:
tensorpotential
>=0.5.1
orb:
orb-models
>=0.6.0
pynanoflann
>=0.10.0
mattersim:
mattersim
fairchem:
fairchem-core
>=2
upet:
upet
>=0.3.0
deepmd:
deepmd-kit
[torch]
>=3.2.0
ci:
setuptools
<82
codecov-cli
>=10.3.0
coverage
>=7.7.1
coveralls
>=4.0.1
ipython
>=8.34.0
jupyter
>=1.1.1
maml
>=2025.4.3
matgl
>=4.1.0
matminer
>=0.10.1
mp-api
>=0.45.3
nbmake
>=1.5.5
pre-commit
>=4.2.0
pymatgen-analysis-defects
>=2026.3.20
pymatgen-analysis-diffusion
>=2025.11.15
pytest
>=8.3.5
pytest-cov
>=6.0.0
pytest-xdist
>=3.6.1
seekpath
>=2.1.0
phono3py
>=4.2.0
Source
No source
