Re: [Rdkit-devel] KNN-GIST operators for PostgreSQL cartridge
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2011-10-25 04:35:51
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On Mon, Oct 24, 2011 at 6:12 PM, Adrian Schreyer <am...@ca...> wrote: > > Here is the changeset: > https://bitbucket.org/aschreyer/rdkit/changeset/8ae28b173a8a . > Unfortunately, the IDE I use stripped trailing white space therefore > the diffs might be a bit confusing. Those changes are in. > There is still some work to be done ;) - I think some refactoring is > necessary because the bfp_distance function shares a lot of code with > the bfp_consistent one (I was a bit lazy and simply copied the code). > Also the whole thing has to be extended to the sfp and mol data types. I agree with the sfp data type, but I don't think I do with mol. How would you define distance there? -greg |