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MolecularAI / aizynthfinder

A tool for retrosynthetic planning
https://molecularai.github.io/aizynthfinder/
MIT License
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Is there any code provided to retrain the template applicability filter policy? #100

Closed queliyong closed 1 year ago

queliyong commented 1 year ago

Hi, illuminated by the paper, "Artificial applicability labels for improving policies in retrosynthesis prediction", I wanna retrain the template applicability filter policy using USPTO data to enhance the ability to find routes. But I did not find the source code of this paper.Thank u for any help.

SGenheden commented 1 year ago

The code for this paper was never published, and is currently not in a stage that is nice for someone to use. I would suggest trying to implement it from scratch rather than build upon some of our old code. With that said, I must say I am unsure if it will actually help that much with route finding. I don't think that was clearly shown.

queliyong commented 1 year ago

OK.Thanks a lot.