graphkit-learn

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I have searched almost all the literature, but have not found the atomic type corresponding to the node label of the NCI1 dataset. We know that the NCI1 dataset is made up of molecule graphs composed of atoms in 37 categories. just like the molcules in MUTAG dataset are composed of atoms in 7 categories: {0:'C', 1:'N', 2:'O', 3:'F', 4:'I', 5:'Cl', 6:'Br'}. Sincerely ask everyone to reply !!!

In ./notebooks/utils/plot_all_graphs.py, it plots graphs in MUTAG dataset with node(atom) labels like this:

# line [19 - 40]
    dataset, y = loadDataset("../../datasets/MUTAG/MUTAG_A.txt")
    for idx in [6]: #[65]:#
        G = dataset[idx]
        ncolors= []
        for node in G.nodes:
            if G.nodes[node]['atom'] == '0':
                G.nodes[node]['atom'] = 'C'
                ncolors.append('#bd3182')
            elif G.nodes[node]['atom'] == '1':
                G.nodes[node]['atom'] = 'N'
                ncolors.append('#3182bd')
            elif G.nodes[node]['atom'] == '2':
                G.nodes[node]['atom'] = 'O'
                ncolors.append('#82bd31')
            elif G.nodes[node]['atom'] == '3':
                G.nodes[node]['atom'] = 'F'
            elif G.nodes[node]['atom'] == '4':
                G.nodes[node]['atom'] = 'I'
            elif G.nodes[node]['atom'] == '5':
                G.nodes[node]['atom'] = 'Cl'
            elif G.nodes[node]['atom'] == '6':
                G.nodes[node]['atom'] = 'Br'