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| --extra-index-url https://download.pytorch.org/whl/cpu | |
| torch==2.14.1+cpu | |
| torchvision==0.29.1+cpu | |
| torch-geometric==2.8.1 | |
| rdkit==2026.9.1 | |
| scikit-learn==1.7.2 | |
| pandas==2.3.3 | |
| pyyaml==6.0.3 | |
| tensorboard==2.21.0 | |
| matplotlib==3.10.9 | |
| seaborn==0.13.2 | |
| fastapi>=0.110.0 | |
| uvicorn>=0.30.0 | |
| httpx>=0.27.0 | |
| pytest==9.1.1 | |
| plotly>=5.18.0 | |
| py3Dmol>=2.0.0 | |