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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