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JeffSHF / ColabDock

Code for ColabDock paper
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Scoring #20

Open steven0seagal opened 7 months ago

steven0seagal commented 7 months ago

Hello, I am interested in utilizing your tool for docking structures that lack a native complex structure. Without a native structure, I am unable to use metrics like DockQ or RMSD. Could you please explain how your tool evaluates and ranks predicted complex structures in the absence of native structures?

JeffSHF commented 7 months ago

Hi, there. We train a RankingSVM model to rank the predicted complexes. It mainly considers plddt, ipTM, the number of satisfied restraints, and other measurements. For more details, please refer to the paper https://www.biorxiv.org/content/10.1101/2023.07.04.547599v1