Re: [Rdkit-devel] KNN-GIST operators for PostgreSQL cartridge
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2011-10-24 15:59:08
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On Mon, Oct 24, 2011 at 5:28 PM, Adrian Schreyer <am...@ca...> wrote: > Hi Greg, > > I just added KNN-GIST > (http://www.depesz.com/index.php/2010/12/11/waiting-for-9-1-knngist/) > ORDER BY operators for the bfp data type, <%> for Tanimoto-based > queries and <#> for Dice. An example benchmark is here: > https://gist.github.com/1309271 (with query plans). I'm both sad and thrilled that you beat me to this one. ;-) > Currently the performance increase is around 30-40% based on the > operator thresholds. I'm sure there is much more possible but I don't > fully understand the RDKit GIST implementation so I simply used parts > of the consistency functions to make it work. Extending this to the > other data types should be fairly simple as well. > > I am going to push the changes to my RDKit bitbucket repository later. Let me know when it's there and I'll go through it and then merge it. -greg |