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Edge model/rep #7

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heiidii opened this issue Mar 29, 2022 · 1 comment
Open

Edge model/rep #7

heiidii opened this issue Mar 29, 2022 · 1 comment

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@heiidii
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heiidii commented Mar 29, 2022

Hi,

Thank you for providing this version of the EnGNN model. This is not really an issue just a query. The original model as implemented here (https://github.com/vgsatorras/egnn) has 3 main steps per layer:
edge_feat = self.edge_model(h[row], h[col], radial, edge_attr)
coord = self.coord_model(coord, edge_index, coord_diff, edge_feat)
h, agg = self.node_model(h, edge_index, edge_feat, node_attr)
I am interested in the edge_feat and was wondering what would be an equivalent edge representation in your implementation. Line 335 in EnTransformer.py: qk = self.edge_mlp(qk) seems like the best candidate.
Thanks,
Pooja

@lucidrains
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Hello there! Yeah there are instructions in the readme on how to incorporate edges. Did you have a more specific question?

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