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Extend this to 3D...?

Open hskang9 opened this issue 5 years ago • 1 comments

I want to extend this network architecture in case of molecule bond informations.

For example, H2O consists of two Os(O1, O2), and one H(H1).

Make adjacency matrix out of this then we have 2x2x2 matrix where H,Os are X/Y axis and Z is the quantity of each element.

I think edge-to-edge node filter in this case would be Conv2D(1xdxd)+ Conv2D(dx1xd) + Conv2D(dxdx1)

edge-to-node would be

Concatenation of Conv1D on neighboring edges(that diagonal).

hskang9 avatar Dec 28 '19 09:12 hskang9

Hey @hskang9 . Any work since 2019 on that?

KeremKurban avatar May 17 '23 10:05 KeremKurban