/MGDTA

MGDTA: EXPLORING MULTIGRANULAR REPRESENTATIONS FOR DRUG-TARGET BINDING AFFINITY PREDICTION

Primary LanguageJupyter Notebook

MGDTA

The code is the implementation for the paper 'MGDTA: EXPLORING MULTIGRANULAR REPRESENTATIONS FOR DRUG-TARGET BINDING AFFINITY PREDICTION'.

Requirements

python 3.6.7

pytorch 1.2.0

scipy 1.3.1

numpy 1.17.2

pandas 0.25.1

Jupyter notebook

Dataset

Downloaded the Daivs-uniq, kiba-uniq and BindingDB-uniq from the following link http://iilab.hit.edu.cn/dtadata/ElectraDTA/dataset/

Run code

Open MGDTA.ipynb and run