numpy>=1.24

[all]
scikit-learn>=1.1
rdkit>=2023.3
pandas>=2.0
pyarrow>=14
rdfp>=0.1
huggingface_hub>=0.24
hf_transfer>=0.1
lightgbm>=4.0
xgboost>=2.0

[chem]
rdkit>=2023.3
pandas>=2.0
pyarrow>=14
rdfp>=0.1

[cuda]
lightgbm>=4.0
xgboost>=2.0
torch>=2.0

[dev]
build>=1.2
bump2version>=1.0
pytest>=7.0
ruff>=0.4
scikit-learn>=1.1
pandas>=2.0
pyarrow>=14
twine>=5.0

[hf]
huggingface_hub>=0.24
hf_transfer>=0.1
pandas>=2.0
pyarrow>=14

[minimal]

[ml]
scikit-learn>=1.1

[surrogate]
lightgbm>=4.0
xgboost>=2.0
