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How can I use Deepfusion to predict the binding affinity of a new complex

Open NECCCCCCC opened this issue 2 years ago • 3 comments

Hi,

It seems that the code here can only evaluate the model on PDBBind. How can I use the code to predict the binding affinity of a new complex not in PDBBind? If you can provide a script or any other methods, it would be very helpful. Thanks.

NECCCCCCC avatar Jan 14 '22 03:01 NECCCCCCC