Hi, Imagine I have two numpy arrays containing zeros and ones (or bools) effectively being fingerprints:
np_1, np_2 = some_fingerprints_as_np_arrays() I want to convert them both to rdkit fingerprint objects so I can use DiceSimilarity: from rdkit import DataStructs # this won't work becuse of type incompatibility DataStructs.DiceSimilarity(np_1, np_2) In the http://www.rdkit.org/Python_Docs/rdkit.DataStructs.cDataStructs.ExplicitBitVect-class.html docs I can't find any constructor apart from FromBase64. Any hints? Cheers, Michał ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
