pandas
biopandas>=0.5.1
biopython
bioservices>=1.10.0
cpdb-protein==0.2.0
cython
deepdiff
loguru
looseversion
matplotlib>=3.4.3
multipledispatch
networkx
numpy<2
pandas
plotly
pydantic
rich
rich-click
seaborn
pyyaml!=5.4.0,!=5.4.1,!=6.0.0
scikit-learn
scipy>=1.8
tqdm
wget
xarray
jaxtyping

[all]
pytest
biovec
selfies
einops
smilite
isort
mpl_chord_diagram==0.3.2
nbval
pycodestyle
pyaaisc
flake8
rdkit
foldcomp
pytest-xdist
pandoc
nest_asyncio
pre-commit
pytest-cov
nbstripout
propy3
hypothesis
black
pydocstyle
interrogate

[dev]
black
flake8
hypothesis
interrogate
isort
nbstripout
nbval
pandoc
pre-commit
pycodestyle
pydocstyle
pytest
pytest-cov
pytest-xdist

[extras]
biovec
propy3
pyaaisc
mpl_chord_diagram==0.3.2
rdkit
selfies
smilite
einops
foldcomp
nest_asyncio
