Hi Brian,
I just did a bit of looking here and either something has changed since my
first experiments with 9.6 or I was remembering incorrectly. The functions
exposed in the cartridge need to be marked as being "parallel safe" in
order to be usable in a parallel query. At the moment none of them
Doesn't appear like ::mol parallelized either. Only seeing the following
use 1 CPU in top.
ligandlibrary=# explain analyze select count(*) from ligands where
rdkit_mol@>'Br'::mol;
QUERY PLAN
I think they should. Does a ::mol query on the same table parallelize? If
it does but a ::qmol query does not maybe I forgot something in the SQL
function definitions
On Fri, 1 Jun 2018 at 15:43, Brian Cole wrote:
> Hi Greg,
>
> Are SMARTS searches with the ::qmol type supposed to parallelize?
Hi Greg,
Are SMARTS searches with the ::qmol type supposed to parallelize? They
don't appear to be either.
-Brian
On Fri, Jun 1, 2018 at 1:46 AM, Greg Landrum wrote:
> Hi Brian,
>
> When the new parallel queries came out I checked that they actually could
> be used and things seemed fine.
>
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.
Dear Alfredo,
this file contains pretty comprehensive instructions how to build and
install the cartridge:
https://github.com/rdkit/rdkit/blob/master/Code/PgSQL/rdkit/README
Please get back to me off-list if you still have issues in getting it to
work for you.
Cheers,
p.
On 05/24/18
thank you Markus for the reply,
listing the /user/share/postgresql directory I can see several folder
apart from 10 (9.2, 9.3, etc),
I uninstalled the current postgres instalation and deleted all the
folder under ´/user/share/postgresql. Afterwards I reinstalled postgres,
and only
Hi Alfredo,
My first guess would be you have another, older Postgres version on your
computer and you have build against this version. Take a look at the
/use/share/postgresql directory and take a look if there is another directory
instead of 10/
Markus
-
After loading your dataset into a database on my linux machine, I'm
starting to wonder about my own answer below:
On Sat, Jul 17, 2010 at 6:02 AM, Greg Landrum greg.land...@gmail.com wrote:
There are two parts here:
1) The RDKit does a lot of work when it reads a molecule, so it's
Hi TJ,
On Fri, Jul 16, 2010 at 4:02 PM, TJ O'Donnell t...@acm.org wrote:
I'm having a good time playing with your new postgres cartridge. I've
run into a few problems I thought you could help with.
First a summary of what I did, then a few questions. I'm using postgres
8.4.4 on linux,
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