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matplotlib==3.9.2 numpy>=1.26.1 pandas>=1.5.3 scikit-learn>=1.5.0 rdkit>=2024.3.5 torch-geometric>=2.3.1 datasets>=2.13.1 huggingface-hub transformers>=4.38 selfies>=2.1.0 tqdm>=4.66.4 xgboost==2.0.0 |