numpy==1.25.2
torch==2.0.1
pytorch_lightning==2.0.9
scikit-learn==1.2.0
imbalanced-learn==0.12.0
rdkit==2023.9.5
pandas==1.5.3
joblib==1.2.0
optuna==3.3.0
torchmetrics==1.1.2
xgboost==1.5.1
h5py