Hi Greg,
On Thu, Mar 16, 2017 at 9:05 PM, Greg Landrum <greg.land...@gmail.com>
wrote:
> I'm a bit confused by all this. The RDKit has Tanimoto (and a bunch of
> other similarity measures) built in:
>
>
Good point (as always). I'd been assuming that for some reason that OP had
fingerprints that had been converted to *numpy.ndarray* objects, not
*rdkit.DataStructs.ExplicitBitVect
*objects.
Looking back over the thread, maybe what was really being asked was, "how
do I convert *numpy.ndarray* objects to *rdkit.DataStructs.ExplicitBitVect *
objects?
Curt
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