This repository provides a reference implementation of MHTAN-DTI as described in this paper:
MHTAN-DTI: Metapath-based Hierarchical Transformer and Attention Network for Drug-Target Interaction Prediction
Ran Zhang, Zhanjie Wang, Xuezhi Wang, Zhen Meng, Wenjuan Cui.
Recent versions of the following packages for Python 3.7 are required:
- PyTorch 1.12.1
- DGL 0.6.1
- NetworkX 2.6.3
- NumPy 1.21.6
- Scikit-learn 1.0.2
The preprocessed Luo et al. dataset is available at -> https://cstr.cn/31253.11.sciencedb.01726
- Luo et al. dataset contains 708 drugs, 1512 proteins, 5603 diseases and 4192 side effects.
- Create
checkpoint/
andDTI_data/
directories - Download the dataset from the section above to
DTI_data/
- Execute the following command from the project home directory to train and test:
python run_DTI.py