DeepDTAGen: A Multitask Deep Learning Framework for Drug-Target Affinity Prediction and Target-aware Drugs Generation

BindingBD_Generated_Drugs.xlsx file contrains the drugs SMILES generated by DeepDTAGen when trained on BindingDB dataset.

KIBA_Generated_Drugs.xlsx file contrains the drugs SMILES generated by DeepDTAGen when trained on KIBA dataset.

Sourcedata.rar file contains the source data for Figures 2–6 and 8 in the main manuscript, along with Supplementary Figures 17–23 and Supplementary Table 14. Each file within 'Sourcedata.rar' is labeled with its corresponding figure or table number.
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preprocessed-datasets.rar file contains all the pre-processed form of the datasets.

models.rar file contains the pre-trained models