numpy>=1.24
pandas>=2.0
scikit-learn>=1.3
rdkit>=2023.9
scipy>=1.11
pyyaml>=6.0
xgboost>=2.0
catboost>=1.2
optuna>=3.0
requests>=2.28
tqdm>=4.64

[all]
envmolbench[dl,mordred]

[dev]
pytest>=7.0
pytest-cov>=4.0
build>=1.0
twine>=5.0

[dl]
torch>=2.0
transformers>=4.38
torch-geometric>=2.4
chemprop>=2.0
unimol-tools>=1.0
torchvision>=0.15
Pillow>=10.0

[mordred]
mordred-community>=1.2
