Before revision:  We present DeepPurpose, a deep learning toolkit for simple and efficient drug repurposing. With a few lines of code, DeepPurpose generates drug candidates based on aggregating five pretrained state-of-the-art models while offering flexibility for users to train their own models with 15 drug / target encodings and 50+ novel architectures.
After revision:  We present DeepPurpose, a comprehensive and easy-to-use software toolkit for DL based drug-target interaction (DTI) prediction with applications to drug screening and repurposing. The unique feature of DeepPurpose is that it enables non-computational drug development scientists to identify drug candidates based on aggregating five pretrained state-of-the-art models while offering flexibility for users to train their own models with 15 drug / target encodings and 50+ novel architectures.