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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