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Are pretrained weights available for GCPN and GraphF

Open VIGNESHinZONE opened this issue 2 years ago • 2 comments

I have been following this tutorial (Molecule Generation) for generating new molecules on google collab for but there isn't compute resource available to pre-train the model on Zinc Dataset. Are pertained weights available for GCPN or GraphF trained on Zinc Dataset?

I have a list of 400 Molecules and would like to generate similar-looking molecules. I had thought of applying transfer learning using the pre-trained weights. I would be really grateful if someone could upload the model weights for GCPN & GraphF in this Google Drive Link

VIGNESHinZONE avatar Apr 14 '22 11:04 VIGNESHinZONE

Hey, Please check out this tutorial. We pretrained GraphAF and G2Gs for 5 epochs. Please check this google drive folder

shichence avatar Aug 05 '22 01:08 shichence

Hey, Please check out this tutorial. We pretrained GraphAF and G2Gs for 5 epochs. Please check this google drive folder

gcpn_zinc250k_5epoch.pkl;How to load and use, can you provide the relevant code?

lonngxiang avatar Nov 23 '22 06:11 lonngxiang