On Sun, 20 Jan 2019 12:03:50 +0100 Shojiro Shibayama <notify.p...@gmail.com> wrote:
> ... I guess SQLalchemy > in python might be good, but I'm not sure. Hope that you'll find out > a good library of SQL OR mapper for python. SQLalchemy creates a fairly specific ecosystem that you have to buy into for it to make sense. When you don't have objects, only a table of properties, OR mapper is just bloat. With parallel processing your bottleneck is going to be database inserts. One option is write out CSV file(s) from each thread/job, concatenate them in the final node, and then bulk-import into the database: typically CSV (or other such format) bulk import is orders of magnitude faster than inserting one SQL statement at a time. -- Dmitri Maziuk <dmaz...@bmrb.wisc.edu> _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
