2025-MGTP

Requirements

PyTorch >= 2.0.0
torch-gemetric >= 1.3.2
rdkit
scikit-learn

Usage example

BBB Dataset

cd ./dataset/raw/cleaned_BBBP.csv

Encode data

cd ./loader.py

Masking data

cd ./util.py

Training MGT-BERT

python ./training_mgt_bert.py

Extract Features

python ./extract_feature.py