pydantic>=2.0
rdkit
numpy
scipy
pandas
polars
tqdm
sqlitedict
seaborn
matplotlib
altair
joblib
dill
useful_rdkit_utils

[docs]
sphinx>=7.0
pydata-sphinx-theme>=0.15
sphinx-design
sphinx-copybutton
sphinx-togglebutton
myst-nb>=1.0

[notebook]
ipython
ipykernel

[openeye]
openeye-toolkits

[test]
pytest
pytest-cov
ipython

[tutorials]
marimo>=0.18.0
