CoaDTI

Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2

Abstract

Environment

The test was conducted in the linux server with GTX2080Ti and the running environment is as follows:

• python 3.7
• pytorch 1.7.1
• rdkit
• pytorch geometric 1.6.3
• Cuda 10.0.130

Data

Human dataset

C.elegans dataset

Binding_DB dataset

How to run

CoaDTI

1. Run ./code/data_prepare.py to preprocess the dataset.
2. Run ./code/train.py to train the CoaDTI.

CoaDTI-pro

1. Run ./code/data_prepare.py to preprocess the dataset.
2. Run ./code/train.py to train the CoaDTI-pro.