molecule-generation
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How to integrate custom atom features?
Hi, may I ask if I can add the atom positions in atom_feature_utils.py? If I include the coordinates, does this mean I should directly sum the features in the node feature vector from the GNN graph? I apologize for the confusion, but I am not sure where the GNN model is located or where the features get embedded. If you could help me locate where the GNN model or the feature embedding process is, I would humbly thank you