--extra-index-url https://download.pytorch.org/whl/cpu
torch==2.14.0+cpu
rdkit==2026.03.6
scikit-learn==1.8.0
numpy==2.3.5
scipy==1.18.1
pandas==3.0.5
matplotlib==3.10.8
requests==2.34.2
PyYAML==6.0.3
joblib==1.5.3
pytest==9.1.1