Dear all,
I am using RDKit's FeatMap functionality and I am following the code from the blogpost, http://rdkit.blogspot.com/2017/11/using-feature-maps.html Using Feature Maps<http://rdkit.blogspot.com/2017/11/using-feature-maps.html> rdkit.blogspot.com This post provides a short demonstration of how to use the RDKit's feature map implementation to score aligned 3D conformations against... I was wondering why the output from fms[0].ScoreFeats(featLists[0])/fms[0].GetNumFeatures() (In [19]) is giving a value of 1.0047133039823972 and not 1? Is this a rounding issue? Thanks, Susan
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