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# deep learning --extra-index-url https://download.pytorch.org/whl/cu118 torch==2.4 lightning==2.4 torch-geometric https://data.pyg.org/whl/torch-2.4.0%2Bcu118/torch_cluster-1.6.3%2Bpt24cu118-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.4.0%2Bcu118/torch_scatter-2.1.2%2Bpt24cu118-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.4.0%2Bcu118/torch_sparse-0.6.18%2Bpt24cu118-cp311-cp311-linux_x86_64.whl https://data.pyg.org/whl/torch-2.4.0%2Bcu118/torch_spline_conv-1.2.2%2Bpt24cu118-cp311-cp311-linux_x86_64.whl scipy fair-esm e3nn scikit-learn # configuration and utilities hydra-core pandas pandarallel panel python-dotenv seaborn apscheduler tinydb email-validator gradio_rangeslider # bio/cheminformatics biopython rdkit openbabel-wheel prody |