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| biopandas==0.4.1 | |
| biopython==1.79 | |
| e3nn==0.5.0 | |
| jinja2==3.1.2 | |
| joblib==1.2.0 | |
| markupsafe==2.1.1 | |
| mpmath==1.2.1 | |
| networkx==2.8.7 | |
| opt-einsum==3.3.0 | |
| opt-einsum-fx==0.1.4 | |
| packaging==21.3 | |
| pandas==1.5.0 | |
| scikit-learn==1.1.2 | |
| scipy==1.9.1 | |
| spyrmsd==0.5.2 | |
| sympy==1.11.1 | |
| spyrmsd==0.5.2 | |
| sympy==1.11.1 | |
| torch==1.12.1 | |
| numpy==1.23.1 | |
| torchaudio==0.12.1 | |
| torchvision==0.13.1 | |
| rdkit-pypi==2022.3.5 | |
| torch-scatter | |
| torch-sparse | |
| torch-cluster | |
| torch-spline-conv | |
| torch-geometric | |
| -f https://data.pyg.org/whl/torch-1.12.0+cu102.html | |