ColdDTA: Utilizing data augmentation and attention-based feature fusion for drug-target binding affinity prediction
https://github.com/hkmztrk/DeepDTA/tree/master/data
dataset==1.6.2
DeepPurpose==0.1.5
matplotlib==3.3.4
networkx==2.5.1
numpy==1.19.5
pandas==1.1.5
rdkit==2023.3.2
rdkit_pypi==2021.9.4
scikit_learn==1.3.0
torch==1.9.0+cu111
torch_geometric==2.0.3
tqdm==4.62.3
python preprocessing.py
python train.py