Start by grabbing this source code:
git clone https://github.com/RexYing/gnn-model-explainer
It is recommended to run this code inside a virtualenv with python3.7.
virtualenv venv -p /usr/local/bin/python3
source venv/bin/activate
To install all the requirements, run the following command:
python -m pip install -r requirements.txt
If you want to install the packages manually, here's what you'll need:
- PyTorch (tested with
1.3)
python -m pip install torch torchvision
For alternative methods, check the following link
- OpenCV
python -m pip install opencv-python
TODO: It might be worth finding a way to remove the dependency to OpenCV.
- Datascience in Python classics:
python -m pip install matplotlib networkx pandas sklearn seaborn
TensorboardX
python -m pip install tensorboardX
To install RDKit, follow the instructions provided on the website.