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| torch==1.13.1 | |
| rdkit-pypi==2022.9.5 | |
| tqdm | |
| numpy==1.23.1 | |
| seaborn | |
| matplotlib | |
| pandas | |
| torch_geometric | |
| scipy==1.9.3 | |
| chembl_structure_pipeline==1.2.2 | |
| torchtext==0.6.0 | |
| wandb | |
| # demo related installs | |
| streamlit | |
| ipython | |
| streamlit-ext |