molecularGNN_3Dstructure
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20 hours ago •
masashitsubaki
masashitsubaki
Graph neural network (GNN) for molecular property prediction (3D structure)
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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...
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Graph neural network (GNN) for molecular property prediction (3D structure)