atom view

[karel-w]

I was wondering how atom view is implemented? I'm getting a shape mismatch.

In mc-gearnet_edge.yaml I changed the view and entity level to 'atom' and input dimension to 38. As i find 38 atom types in the torchdrug protein class. Is there another setting i need to change?

Thanks for creating GearNet!

[Oxer11]

Hi, thanks for raising the question. The atom view is set to changing the node features from residue features to atom features. You can find the implementation here: https://github.com/DeepGraphLearning/torchdrug/blob/6066fbd82360abb5f270cba1eca560af01b8cc90/torchdrug/data/protein.py#L113. I think you also need to check the implementation of Multiview Contrast to make sure the shape of node features can match.