HICAI-ZJU / KANO

Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".
MIT License
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Questions about Fig.4. #23

Open Vencent-Won opened 6 months ago

Vencent-Won commented 6 months ago

Thank you for providing the code, it's a very interesting work! But the description, that "The attention weights reflect the functional groups’ significance to the global characteristics of the molecule, extracted from the final self-attention layer and normalized. ", seems to be unclear. There are lots of normalization methods and attention score computing methods. Could you please provide the visualization code of Fig.4.?