pandas<2.0.0
biopandas==0.5.0.dev0
biopython
bioservices>=1.10.0
deepdiff
loguru
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]
pydocstyle
pandoc
pycodestyle
black
nest_asyncio
biovec
propy3
rdkit
einops
selfies
foldcomp
pytest-cov
pytest
isort
hypothesis
mpl_chord_diagram==0.3.2
smilite
flake8
nbstripout
nbval
pyaaisc
interrogate
pre-commit
pytest-xdist

[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
