Re: [Rdkit-discuss] RD Kit PostgreSQL in a container

2019-12-12 Thread Tim Dudgeon
you might want to look at these that we're been using for several years: https://hub.docker.com/r/informaticsmatters/rdkit-cartridge-debian/tags This the GitHub repo for this and several other flavours of RDKit container images: https://github.com/InformaticsMatters/docker-rdkit Tim On

Re: [Rdkit-discuss] RD Kit PostgreSQL in a container

2019-12-04 Thread Markus Sitzmann
Hi, I am working on for this for the next Chembience release (0.3.0 which I hope will be out in January). It adds RDKit to the official Postgres container repository at https://hub.docker.com/_/postgres If you checkout https://github.com/chembience/chembience-postgresql-rdkit.git *and use branch

Re: [Rdkit-discuss] RD Kit PostgreSQL in a container

2019-12-04 Thread Paolo Tosco
Hi, you might want to take a look at this Docker image maintained by Matt Swain: https://github.com/mcs07/docker-postgres-rdkit Cheers, p. On 04/12/2019 18:36, Webster Homer wrote: I’m looking at running  RD Kit Postgresql cartridge in a docker container. Has anyone done this? There are

[Rdkit-discuss] RD Kit PostgreSQL in a container

2019-12-04 Thread Webster Homer
I'm looking at running RD Kit Postgresql cartridge in a docker container. Has anyone done this? There are PostgreSQL containers available on line at https://hub.docker.com/_/postgres if there is an existing dockerfile with the RDKit extension, that would be great. If not has anyone built