subject:"\[Rdkit\-discuss\] Postgres cartridge functions"

Re: [Rdkit-discuss] Postgres cartridge functions

2017-01-05 Thread Greg Landrum

Hi Jaan, On Sun, Jan 1, 2017 at 8:58 AM, jaan gruber wrote: > Hi. > I have been experimenting with rdkit and PG cartridge recently. Both are > really cool. > Glad to hear it! > However I have a question related to similarity functions like this > > """create or

[Rdkit-discuss] Postgres cartridge functions

2017-01-01 Thread jaan gruber

Hi.I have been experimenting with rdkit and PG cartridge recently. Both are really cool. However I have a question related to similarity functions like this """create or replace function get_mfp2_neighbors(smiles text) returns table(molregno integer, m mol, similarity double precision) as $$