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Babel==2.14.0 biopython==1.83 chembl-structure-pipeline==1.2.2 ConfigSpace==0.7.1 cycler==0.12.1 dask==2024.5.1 joblib==1.4.0 keras==3.4.1 numpy==1.26.4 optuna==3.6.1 pandas==2.2.2 plotly rdkit==2023.9.5 scikit-learn==1.4.2 scipy==1.13.0 seaborn==0.13.2 sentencepiece==0.2.0 shap==0.46.0 smac==2.1.0 tensorflow==2.17.0 # torch==2.4.0 tqdm==4.66.2 transformers==4.41.0 umap==0.1.1 xgboost==2.0.3 |