numpy==1.26.4
pandas>=2.0
scipy>=1.11
scikit-learn>=1.4
rdkit==2026.03.1
lightgbm>=4.5
xgboost>=2.1
chemprop>=2.0,<3.0
autogluon-tabular>=1.1
mordredcommunity>=2.0
torch>=2.5
gradio-client>=1.5
huggingface-hub>=0.27