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cgoliver / rnamigos2

Rapid structure-based virtual screening for RNA targets.
MIT License
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Difficulty in reproducing results in the paper #1

Open PatronusCai opened 2 months ago

PatronusCai commented 2 months ago

Dear Carlos, Thank you for developing this tool. I downloaded the repository and tried to reproduce the results according to the instructions from REPRODUCE.md. However, I came across many unexpected errors, and the results I got didn't quite correspond to the results in the paper. Could you please offer the processed split_paper_{fp, native, dock, rdock}_{, _raw}.csv results, so that I can directly compare my results with yours to see where I might do wrong? Thank you very much!

cgoliver commented 2 months ago

Hi @PatronusCai ! Thanks for giving this a look. Perhaps @Vincentx15 can help here if it's a quick bug since he built this part. But I would suggest we wait about 2 weeks on this since we are now finalizing the paper (on that note, we have done some more data cleanup since posting this so it will not give you the latest results in any case). During that process, we will do a major code cleanup which should resolve these issues.

Let me know how that sounds on your end.

PatronusCai commented 2 months ago

Dear Carlos, Thanks for your quick reply! I think I will wait for the final version.