We’re looking for solutions for storing large (multiple billion) molecule datasets. We saw that AWS Aurora PostgreSQL supports rdkit (see Extension versions for Amazon Aurora PostgreSQL - Amazon Aurora), but for certain reasons we can’t use it. Here is a relatively recent Dockerfile that shows how to build rdkit for the Postgres extension docker-postgres-rdkit/Dockerfile at master · rvianello/docker-postgres-rdkit · GitHub.
Hey.
I’ve just created a PR that compiles rdkit
: Compile rdkit by vadim2404 · Pull Request #4442 · neondatabase/neon · GitHub
Thanks for sharing the docker image. I used it as a reference.
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Thank you so much, really appreciate it!