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I wanted to ask whats the difference between cnn_scoring and scoring. In scoring what is the default option that is provided (ad4_scoring default dkoes_fast dkoes_scoring dkoes_scoring_old vina vinardo)?
If we select vina for scoring function, it does the rescoring?
Thank you
The text was updated successfully, but these errors were encountered:
--cnn_scoring determines where in the docking pipeline the CNN scoring function is applied. By default, it is used for re-scoring. The Figure 1 in the GNINA 1.0 paper for more details.
--scoring allows you to select which (classical) scoring function to use, for the steps of the docking pipeline where the CNN scoring function is not used.
Thank you for your answer. In scoring flag, there is the option "default" (ad4_scoring default dkoes_fast dkoes_scoring dkoes_scoring_old vina vinardo). Which scoring function is this?
Issue summary
I wanted to ask whats the difference between cnn_scoring and scoring. In scoring what is the default option that is provided (ad4_scoring default dkoes_fast dkoes_scoring dkoes_scoring_old vina vinardo)?
If we select vina for scoring function, it does the rescoring?
Thank you
The text was updated successfully, but these errors were encountered: