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 wrote:
> Hi,
>
> That's a really old example and I'm no longer even sure what was in that
> file.
> Fortunately
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 wrote:
> Hi,
>
>
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
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