Do you have a good example file with known clustering results? I don’t want to try something without knowing the correct answer. Thanks.
On Thu, Nov 7, 2019 at 1:31 PM Greg Landrum <greg.land...@gmail.com> wrote: > Hi, > > That's a really old example and I'm no longer even sure what was in that > file. > Fortunately you can try the example with any sdf file or sdf.gz file that > you have, you don't need that exact file. > > -greg > > > > > On Wed, Nov 6, 2019 at 10:49 PM Peng Yu <pengyu...@gmail.com> wrote: > >> Hi, >> >> https://www.rdkit.org/docs/Cookbook.html#clustering-molecules >> >> I'd like to try the above example. Where can the file zdd.sdf.gz be >> downloaded? Thanks. >> >> -- >> Regards, >> Peng >> >> >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> > -- Regards, Peng
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