Ideally do all this in a Conda virtual environment
For Python Nauty Wrapper:
cd pynauty-0.6.0
tar xvzf nauty26r9.tar.gz
cd nauty26r9
make
cd ..
ln -s nauty26r9 nauty
make user-ins
make pynauty
sudo pip install .
For RDKit:
conda install -c rdkit rdkit
Which then requires you install Tensorflow like this:
pip install --upgrade tensorflow
For GCN and required packages, go to the top folder:
python setup.py install
Then to run,
cd gcn
python train_experimental.py