Some issues about code in finetune.py?

yuyangw / MolCLR

Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.

MIT License

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Closed githubXin123 closed 2 years ago

githubXin123 commented 2 years ago

Hi, thanks for your nice work!

https://github.com/yuyangw/MolCLR/blob/fe603e04807eab7a6c1e02e28881f72e2c67bcde/finetune.py#L124 The name of the prediction section is ‘’pred_head“ in [ginet_finetune.py].If I use GIN to finetune, should 'pred_lin' be changed to 'pred_head' on line 124?

yuyangw commented 2 years ago

Hi, thanks for pointing this out! I didn't notice this when doing code clean-ups. I have pushed a commit and fixed the issue.

Best, Yuyang