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HICAI-ZJU / KANO

Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".
MIT License
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Where does augmentation happen in pretraining? #24

Open soulios opened 2 weeks ago

soulios commented 2 weeks ago

Hello!

Very cool idea and repo but I cannot see where exactly in the code the augmentation happens to constrast the moelcules in the pretraining. Can you maybe point it out? Thanks in advance.

ZJU-Fangyin commented 2 weeks ago

Hi,

You can find the code for augmentation at here, and the code for contrastive learning at here.

I hope this helps!