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To set the environment properly and avoid any conflicts follow the steps:

  • Run the following command line in the terminal, it will create a Conda environment with the name physgnn and install the conda requirements:

    conda env create -f GNNs-BreastCompression/Environment/conda_requirements.yml

  • Activate physgnn env., then install the pip requirements by running the following command:

    conda activate physgnn

    pip install -r GNNs-BreastCompression/Environment/pip_requirements.txt

  • Run torch-geometric.ipynb notebook using the physgnn env. as a kernel. To install torch-geometric and other important packages from a wheel. The rest of the notebook is to verify that the packages were installed correctly.

Note: The previous versions of the packages are compatible with CUDA 11.7. They were also tested with CUDA 11.8 and 12.4, and no issues were encountered.