An end-to-end deep learning method (AMMVF) is proposed to predict DTI based on drug-target independent features, point-level and graph-level interaction features
- python >= 3.8
- torch >= 1.11
- CUDA >= 11.3
- RDkit >= 2020.09.1
- numpy >= 1.21.5
- pandas >= 1.3.5
- main_glu.py:start file for model training
- model_glu.py:the construction of neural network
- mol_featurizer.py:process the data to get the input of the model
- Chen Qu
- Yifeng Zhou
- Wang Lu