torch>=1.9.0
torch-geometric>=2.0.0
pandas>=1.3.0
numpy>=1.20.0
scipy>=1.7.0
scikit-learn>=1.0.0
xgboost>=1.5.0
rdkit>=2022.03.1
openpyxl>=3.0.0
pyyaml>=5.4.0
click>=8.0.0