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wengong-jin / hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs
MIT License
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Question about the meaning of atom type classification #7

Open HayeonLee opened 4 years ago

HayeonLee commented 4 years ago

Thanks for your active reply!

When I follow your code and paper since I am a newbie of GNN, I have a question.

As I understand, generally node classification means a kind of node clustering.

Yet when I read your paper, there is node type (atom type) classification.

I guess it is predicting atom type among H, C, ... etc not the node clustering.

Am I right? In that case, could you let me know which part of your code is atom type classification?

Thanks in advance.

wengong-jin commented 4 years ago

Hi,

My model only predicts the motif type, which includes atom types (H, C, etc.).