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

[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
