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RishikeshMagar / Crystal-Twins

MIT License
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Backbone of Crystal-Twins #2

Open funihang opened 1 year ago

funihang commented 1 year ago

Hello,

In your paper, I found you use CGCNN as the backbone, and cannot beat the ALIGNN. Just a little curious, why don't you use a newer network as the backbone? Since CGCNN itself does not work so well. Have you done this kind of experiment?

RishikeshMagar commented 1 year ago

Hi funihang, I do have the codebase to run the pertaining with ALIGNN but the compute memory requirements are huge as it constructs an additional line graph. I did try pretraining on smaller dataset but the performance gain was not noticeable.

funihang commented 1 year ago

I see. Thanks for this reply.