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Note to Repository Contributors

Follow the steps below

  • Run git clone [email protected]:Deceptrax123/Drug-Interaction-Using-GNNs.git
  • Create a Virtual environment and activate it
  • Run pip install -r requirements.txt
  • Create a new branch for every new model such as GAT, GCN, SAGE etc. For instance, run git checkout -b GCN to create and run a Graph Convolutional Model
  • Commit and Push all changes to that specific branch only. I will review and merge if no further changes are needed.

Dataset

You may download all the Graph Tensors with their folds over here

Note

  • Before contributing, run the following command: export PYTHONPATH="/path/to/your/project"
  • Follow the same directoy structure as follws:
├── Dataset
│   ├── Molecule_dataset.py
├── Metrics
│   ├── metrics.py
├── GAT
│   ├── train.py
│   ├── model.py
├── GCN
│   ├── train.py
│   ├── model.py
├── SAGE
│   ├── ....
│   ├── ....
├── requirements.txt
├── contributing.md
└── .gitignore