AMMVF

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

Requirements

• python >= 3.8
• torch >= 1.11
• CUDA >= 11.3
• RDkit >= 2020.09.1
• numpy >= 1.21.5
• pandas >= 1.3.5

Using

1. main_glu.py:start file for model training
2. model_glu.py:the construction of neural network
3. mol_featurizer.py:process the data to get the input of the model

Author

• Chen Qu
• Yifeng Zhou
• Wang Lu