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

Related tags

Deep LearningCoaDTI
Overview

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.
Owner
Layne_Huang
Bioinformatics, BioNLP
Layne_Huang
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