Question about the meaning of atom type classification

[HayeonLee]

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]

Hi,

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