numpy
pandas<3
rdkit
openbabel-wheel
pyarrow
duckdb
click
tqdm
posebusters
py3Dmol

[:python_version < "3.11"]
tomli

[:python_version >= "3.10"]
molviewspec

[app]
flask

[bust]

[dev]
pytest
ruff==0.17.3
nbclient
nbformat
ipykernel

[docs]
sphinx
myst-parser
furo
sphinx-click

[meeko]
scipy
gemmi

[meeko:python_version < "3.10"]
meeko<0.8

[meeko:python_version >= "3.10"]
meeko

[viz]
