Docker implementation of autodocking, openbabel, rdkit and lots of molecular dynamics utilities.
-
Updated
Apr 14, 2024 - Dockerfile
Docker implementation of autodocking, openbabel, rdkit and lots of molecular dynamics utilities.
PostgreSQL Docker image with RDKit cartridge https://hub.docker.com/repository/docker/vladkmrdnv/postgres-rdkit
Container for easily running RDKit + Chem packages with Jupyter notebooks, in Python 3
The PostgreSQL image, just extended with the RDKit cartridge
PostgreSQL Docker image with RDKit cartridge
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Add a description, image, and links to the rdkit topic page so that developers can more easily learn about it.
To associate your repository with the rdkit topic, visit your repo's landing page and select "manage topics."