A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
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Updated
Jun 1, 2024 - Dockerfile
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
PostgreSQL Docker image with RDKit cartridge
The PostgreSQL image, just extended with the RDKit cartridge
Container for easily running RDKit + Chem packages with Jupyter notebooks, in Python 3
PostgreSQL Docker image with RDKit cartridge https://hub.docker.com/repository/docker/vladkmrdnv/postgres-rdkit
Docker implementation of autodocking, openbabel, rdkit and lots of molecular dynamics utilities.
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