Comments (3)
they're available here
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Ok thank you very much!
A couple of quick questions, I noticed that some of the scores are 0 and -0? May I know why this is the case from Autodock-Vina? Should these scores be treated any differently when doing the evaluation (like not considering them)?
from molpal.
Those are just due to the way in which the log files from ADV were generated and then parsed to build the lookup table. However, it's just an artifact and won't affect the evaluation (see below)
>>> float("0.0") == float("-0.0")
True
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