torch==2.5.1
lightning==2.5.5
transformers==4.41.2
datasets==4.0.0
fair-esm==2.0.0
rdkit==2025.3.6
SmilesPE==0.0.3
numpy==1.26.4
scipy==1.13.1
pandas==2.3.2
scikit-learn==1.6.1
xgboost==2.1.4
matplotlib==3.9.4
seaborn==0.13.2
pillow==11.3.0
easydict==1.13
tqdm==4.67.1