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Testing SIGN on CSAR and new data

Open NECCCCCCC opened this issue 2 years ago • 8 comments

Hi,

In the paper, SIGN was tested on the PDBBind 2016 and CSAR, but I can't find any codes related to CSAR in the respository. Can you provide a script or any other methods to evaluate SIGN on CSAR. It can be very helpful. Moreover, if I have a new complex not from PDBBind or CSAR (e.g., a protein strcuture file and a ligand file which have been docked), how can I use SIGN to predict its binding affnity. Thanks.

NECCCCCCC avatar Jan 14 '22 03:01 NECCCCCCC