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CrossDocked2020 Pose scores #32

Closed ddomingof closed 1 year ago

ddomingof commented 1 year ago

Hi, I would like to know where can I find the precalculated scores for all the >20M poses for each ligand-target pair. Is that in the dump somewhere? Thanks!

dkoes commented 1 year ago

If you want scores from the gnina default ensemble, then no. @francoep 's imputation paper has data for specific models: https://bits.csb.pitt.edu/files/imputation_paper/

ddomingof commented 1 year ago

Pity. Thanks a lot for the pointer!