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baker-laboratory / RoseTTAFold-All-Atom

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Reproduction of the posebusters test set #107

Open fuxuliu opened 4 months ago

fuxuliu commented 4 months ago

Hi, I used rfaa to test the posebuster set, but the precision I got was not as good as the 42% docking success rate mentioned in the article. I think my test protocol is not consistent with yours. Could you please share a complete test script to reproduce this precision?

Thanks.

amorehead commented 3 months ago

I've recently released a new benchmark that allows users to evaluate some of the most recent structure generation methods for protein-ligand docking (e.g., including RFAA on the PoseBusters Benchmark dataset). You can find code, data, and reproducibility instructions here: https://github.com/BioinfoMachineLearning/PoseBench