NMRpipe 2D processed data (.ft2) Find the filepath to the data you wish to use. In the case of Bruker data, the file path of the parent folder containing the 'fid' file should be used. Run python -m ...

Then run the main.py file in the graph_neural_network folder. This should start automatically the conversion of the cad files into fitting graph data. The graph data is then saved in the graph -> ...