DeepSEQreen_fast_build / requirements.txt
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# deep learning
# Install with conda
# torch>=2.0
# torch_geometric
lightning>=2.0
torchmetrics
transformers
scikit-learn
dgl
dgllife
# configuration and utilities
hydra-core
hydra-colorlog
hydra-optuna-sweeper
hydra-submitit-launcher
pandas
pre-commit
rich
pytest
tensorboard
# model-specific requirements
subword-nmt # MolTrans
tape_proteins # TransformerCPI2
fair-esm # CoaDTI-pro
# apex # recommended by TAPE-BERT
# feature extraction
rdkit
mordred
networkx>=3.0
mhfp
# tmap