This is a DeepDTA demo based on DeepPurpose
DeepPurpose is a DTI, DDI, etc. toolkit, which bases on Pytorch. Hope this demo will come in handy for you.
DeepDTA:https://pubmed.ncbi.nlm.nih.gov/30423097/ official codes (Keras): https://github.com/hkmztrk/DeepDTA
DeepPurpose: https://academic.oup.com/bioinformatics/article/36/22-23/5545/6020256 official codes (Pytorch): https://github.com/kexinhuang12345/DeepPurpose