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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 |