click
numpy>=2.0.0
pandas
polars
pyarrow
rdkit
requests
fake-useragent
tqdm
ipywidgets
mordred
scikit-learn
xgboost
pystow
prodec
defusedxml

[:platform_system == "Windows"]
colorama

[all]
papyrus_scripts[dnn,simgpu]

[dnn]
torch
skorch

[gpu]
cupy-cuda12x[ctk]

[simgpu]
papyrus_scripts[gpu,subsim]

[subsim]
tables
FPSim2

[testing]
pytest
parameterized
