Dear all,

I would like to compute the shape overlap between two molecules. I understand 
that there is rdShapeHelpers.ShapeTanimotoDist however I would like to compare 
the two molecules in a tversky manner.

For example I have mol1 and mol2 and I want a score which penalises mol1 for 
failing to cover mol2 but do not wish to penalise mol1 for having extra volume.

Best wishes,

Susan
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