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
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