Computer-Aided Drug Design at the Durrant Lab › Forums › AutoGrow4 › AutoGrow4: output
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Alex
GuestHi~
Nice tool!
I am running autogrow4 with example dataset / inoput json. There is no error massage, and I would like to know how to understand output files. Where is the final designed molecules? How could I choose the best molecules?
What’s the meaning of each column in _rank.smi?Thanks,
Alex.
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