rdkit-postgres162

RDKit Postgres Cartridge

RDKit PostgreSQL cartridge is a PostgreSQL extension that provides chemical structure handling functionality to the PostgreSQL database. It is based on the RDKit cheminformatics library.

Source Specifications

• Developers: rdkit/rdkit

• Source: rdkit/rdkit

• Documentation: https://www.rdkit.org/docs/Cartridge.html

MolSSI Container Hub Specifications

• Repository: https://hub.docker.com/r/molssi/rdkit-postgres162

• Tags: https://hub.docker.com/r/molssi/rdkit-postgres162/tags

• Source: MolSSI/molssi-hub

• Recipe: MolSSI/molssi-hub

• Image pull command:

  docker pull molssi/rdkit-postgres162:latest
  

• Container run command:

  docker run --name rdkitpostgres -e POSTGRES_PASSWORD=mysecretpassword -p 5432:5432 -d molssi/rdkit-postgres162:latest
  

Note

See the full documentation for the base PostgreSQL image for alternative environment variables and run commands - https://hub.docker.com/_/postgres

Image Specifications

• OS/Arch: debian:bookworm-slim

• Users (UID): root (0)

• Groups (GID): root (0)

• Environment variables:

  • POSTGRES_PASSWORD:

  • POSTGRES_USER: postgres

  • POSTGRES_DB: postgres

• Volumes: None

• Network: None

• Extras:

  • Added directories: None

  • Important packages installed: