This repository includes code for classifying if a given molecule can act as a HIV Inhibitor, using the GNN Transformer architecture.
|-- dataset/
|-- result/
|-- weights/
|-- dataloader.oy
|-- model.py
|-- utils.py
|-- graphics_utils.py
|-- main.py
|-- requirements.txt
python3 main.py --mode full
python3 main.py --mode train
python3 main.py --mode test
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