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1. pipelines pipelines Public

   Containerised components for cheminformatics and computational chemistry

   Python 35 19

2. squonk squonk Public

   Squonk platform and computational notebook

   Java 8 3

3. docking-validation docking-validation Public

   Validation studies for docking related studies

   Nextflow 8 3

4. docker-rdkit docker-rdkit Public

   Lightweight RDKit images for production deployment

   Shell 33 10

5. pipelines-utils pipelines-utils Public

   Common utilities for all pipeline projects

   Groovy 1

6. virtual-screening virtual-screening Public

   Virtual screening tools and Squonk2 jobs

   Python 4 2