Hi Brian,
When the new parallel queries came out I checked that they actually could
be used and things seemed fine.
The problem (and it's a sizable one) is that parallel queries don't use the
index. Until parallel scans using GIST indices work, I don't think this is
really going to help much.
It appears like Postgres 9.6+ supports parallel queries now to accelerate
slow queries:
https://www.postgresql.org/docs/10/static/parallel-query.html
Has anyone successfully got this to accelerate substructure queries with
the RDKit Postgres cartridge?
Thanks,
Brian
Quick update in case others run into my segmentation fault problem: I figured
out that my problem had to do with how python libraries are compiled in conda.
As far as I understand it, conda compiles static python libraries, and the
dynamic library that I was using does not necessarily
I recently switched to the 2018_03_1 release, and I am trying out the new
2D coordinate generating functions. The diagrams look good, but I can't
seem to figure out what the role of the template file is.
I find that I can set the templateFileDir parameter either to a real
directory with the
That explains the problem. Glad everything is working.
On Thu, May 31, 2018 at 4:29 PM Alfredo Quevedo
wrote:
> Hi Greg,
>
> thank you for your feedback.
>
> the tests you mentioned worked ok for me and both molecules are matched
> using the specified smiles. I found that the matching problem
Hi Greg,
thank you for your feedback.
the tests you mentioned worked ok for me and both molecules are matched
using the specified smiles. I found that the matching problem was really
silly: I was expecting to match both molecules in the CHEMBL database I
downloaded (i.e. CHEMBL1517804 and
Dear all,
Long time, no type.
I am on Debian 9.4 (stretch) and I want to install RDKit latest and
greatest (2018.03.1 -- as I am after the excellent ETKDGv2), and the
Postgresql cartridge all in python3 (as python2 is for the damned! :-) ).
Reading the install instructions at
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