numpy>=1.21.0
pandas>=1.3.0
scipy>=1.7.0

scikit-learn>=0.24.2
lightgbm>=3.3.2
xgboost>=1.5.0

torch>=1.9.0
torch-geometric>=2.0.0
torch-scatter>=2.0.9
torch-sparse>=0.6.12

rdkit>=2021.03.1

captum>=0.6.0

matplotlib>=3.4.2
seaborn>=0.11.1

pyyaml>=5.4.1
tqdm>=4.61.0
joblib>=1.0.1

pytest>=6.2.4
black>=21.5b2
flake8>=3.9.2
isort>=5.9.1 