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# deep learning # Install with conda torch >= 2.1 torch_geometric lightning >= 2.1 torchmetrics transformers scikit-learn dgl dglgo dgllife # configuration and utilities hydra-core pandas swifter tensorboard biopython # model-specific requirements subword-nmt # MolTrans tape_proteins # TransformerCPI2 gensim fair-esm # CoaDTI-pro # apex # recommended by TAPE-BERT # feature extraction rdkit mordred networkx >= 3.2 mhfp panel plotly seaborn # tmap |