pymatgen
ase==3.*
numeral==0.*
apricot-select==0.*
tqdm==4.*
click==7.*
pandas
scikit-learn<0.23>=0.22
matminer<0.6.5>=0.6.3
scikit-multilearn==0.*
numba==0.*

[dev]
pre-commit~=2.6.0
pylint~=2.5.3
pytest~=6.0.1
versioneer~=0.18
isort~=4.3.21
black

[docs]
sphinx~=3.3.1
sphinx-book-theme~=0.0.39
sphinx-autodoc-typehints~=1.11.1
sphinx-copybutton~=0.3.1
