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gradio==3.32.0 mordred==1.2.0 numpy==1.21.6 pandas==1.3.5 rdkit_pypi==2022.3.2.1 torch==1.13.0 -f https://data.pyg.org/whl/torch-1.13.0%2Bcu116.html torch_sparse -f https://data.pyg.org/whl/torch-1.13.0%2Bcu116.html torch_scatter torch_geometric==2.0.4 |