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How to integrate custom atom features?

Open feyhong1112 opened this issue 6 months ago • 5 comments

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

feyhong1112 avatar Aug 01 '24 21:08 feyhong1112