Avoid h being overwritten by residual p #1
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Hi @andreeadeac22, thanks a lot for pointing this out! |
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Does this significantly change the performance of PNA + LPSE? (Testing my own ideas on PEs at the moment) |
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Hi @chaitjo, the fix leads PNA to improve on ZINC, almost similar performance is obtained on PCBA, while on TOX21, the score is lower as compared to the previous version. You can check updated results now. |
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Hi,
Congratulations for the nice paper&repo!
I think I found a small typo that could influence the performance of running PNA with residual=True, see attached.
Best,
Andreea