microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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[Feature Request] Pre-trained Graphormer v2.0 model for OGBG-MolPCBA #70

Open zhengsx opened 2 years ago

zhengsx commented 2 years ago

Summary

The architecture design has minor changes between Graphormer v1.0 and v2.0, leading to the requirement of new hyper-parameter configurations of pre-trained model for ogbg-molpcba.

ZHITENGLI commented 1 year ago

Hi, thanks for your work. I want to know if you have any plans to release the corresponding hyper-parameter configurations in the near future. Does it also need to be pre-trained on a deeper network like v1.0?