molecularGNN_3Dstructure
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Could you please give some explansion to your GNN structure?
hi, I find in your code that you cat all atoms to a vector and mul with a distance matrix, and ... Is there some paper to introduce about this GNN structure?
thank you
Hi, I mean I can understand what you did by reading your code completely. I just want to know if it is a common way to construct the graph like this or it is a self-created graph structure by yourself? any literature? Anyway, thank you very much about opening the code.