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# configuration and utilities hydra-core pandas==2.0 # swifter pandarallel tensorboard biopython apscheduler tinydb email-validator # deep learning # Install with conda torch==2.1 torch_geometric lightning==2.1 torchdata==0.7.0 torchmetrics transformers scikit-learn dgl dgllife # model-specific requirements subword-nmt # MolTrans tape_proteins # TransformerCPI2 gensim fair-esm # CoaDTI-pro # apex # recommended by TAPE-BERT # feature extraction rdkit py3Dmol mordred networkx mhfp panel==1.3.6 bokeh plotly seaborn # tmap |