Hello, I have added a Postgres-13/RDKit 2021.03-Version to my Chembience Postgres RDKit project (https://github.com/chembience/docker-postgres-rdkit-compile)
Available Docker images are now *chembience/postgres-rdkit:postgres-13.rdkit-2021.03 (new)* chembience/postgres-rdkit:postgres-13.rdkit-2020.09 chembience/postgres-rdkit:postgres-12.rdkit-2020.03 chembience/postgres-rdkit:postgres-11.rdkit-2019.09 Best, Markus On Mon, Mar 8, 2021 at 8:49 AM Greg Landrum <greg.land...@gmail.com> wrote: > That's really cool, thanks Markus! > > On Sat, Mar 6, 2021 at 7:34 PM Markus Sitzmann <markus.sitzm...@gmail.com> > wrote: > >> Hello, >> >> I have reworked the Postgres RDKit extension module of Chembience and >> made it a spin-off project of its own which is available at: >> >> https://github.com/chembience/docker-postgres-rdkit-compile >> >> It is now based on a fork of the Official Postgres Docker Image >> repository at GitHub just adding the compilation of the RDKit extension >> module to it. It allows for local compilation of the package, however, I >> also provide ready-to-pull Docker images at DockerHub of it. Currently >> available by docker pull are (they all are usable independently of any >> Chembience setup) : >> >> chembience/postgres-rdkit:postgres-13.rdkit-2020.09 >> chembience/postgres-rdkit:postgres-12.rdkit-2020.03 >> chembience/postgres-rdkit:postgres-11.rdkit-2019.09 >> >> My plan is to keep this project up-to-date if newer versions of RDKit or >> Postgres are released. >> >> I also have updated Chembience https://github.com/chembience/chembience >> to version 0.2.18 last week. This is mostly an upgrade to RDKit 2020.09 >> (before it becomes the "old" version) and Postgres 13 and relies already on >> the project above. >> >> Best. >> Markus >> >> _______________________________________________ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >
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