pandas<2.0.0
biopandas>=0.5.0.dev0
biopython
bioservices>=1.10.0
deepdiff
loguru
looseversion
matplotlib>=3.4.3
multipledispatch
networkx
numpy<1.24.0
pandas
plotly
pydantic
rich
rich-click
seaborn
pyyaml!=5.4.0,!=5.4.1,!=6.0.0
scikit-learn
scipy>=1.8
tqdm
typing_extensions==4.5.0
wget
xarray
jaxtyping

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

[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
