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--extra-index-url https://download.pytorch.org/whl/cu121 torch==2.3.1 torchvision==0.18.1 torchaudio==2.3.1 gradio-molecule3d==0.0.6 einops==0.8.0 https://data.pyg.org/whl/torch-2.3.0%2Bcu121/pyg_lib-0.4.0%2Bpt23cu121-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.3.0%2Bcu121/torch_cluster-1.6.3%2Bpt23cu121-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.3.0%2Bcu121/torch_scatter-2.1.2%2Bpt23cu121-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.3.0%2Bcu121/torch_sparse-0.6.18%2Bpt23cu121-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.3.0%2Bcu121/torch_spline_conv-1.2.2%2Bpt23cu121-cp311-cp311-linux_x86_64.whl torch-geometric==2.6.1 scikit-learn==1.5.0 easydict==1.13 biopython==1.83 hadder==3.4 biotite==0.41.0 brotli==1.1.0 msgpack-numpy==0.4.8 transformers==4.41.2 mdtraj==1.10.2 numpy==1.26.4 huggingface_hub==0.27.0 |