rdkit

Overview

PGDG 1st Party Extension: rdkit : Cheminformatics functionality for PostgreSQL.

Information

• Extension ID: 2940
• Extension Name: rdkit
• Package Name: rdkit
• Category: FEAT
• License: BSD 3
• Website: https://github.com/rdkit/rdkit
• Language: C++
• Extra Tags: N/A
• Comment:

Metadata

• Latest Version: 202409.4
• Postgres Support: 16,15,14,13
• Need Load: Shared library do not need explicit loading
• Need DDL: Need CREATE EXTENSION DDL
• Relocatable: Can not install to arbitrary schema
• Trusted: Untrusted, Require Superuser to Create
• Schemas: N/A
• Requires: N/A

RPM / DEB

• RPM Repo: None
• RPM Name: N/A
• RPM Ver : N/A
• RPM Deps: N/A
• DEB Repo: PGDG
• DEB Name: postgresql-$v-rdkit
• DEB Ver : 202409.4
• DEB Deps: N/A

Availability

Installation

Install rdkit via the pig CLI tool:

pig ext install rdkit

Install rdkit via Pigsty playbook:

./pgsql.yml -t pg_extension -e '{"pg_extensions": ["rdkit"]}' # -l <cls>

Install rdkit DEB from APT repo directly:

apt install postgresql-16-rdkit;
apt install postgresql-15-rdkit;
apt install postgresql-14-rdkit;
apt install postgresql-13-rdkit;

Create rdkit extension on PostgreSQL cluster:

CREATE EXTENSION rdkit;