autodock

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Description

The AutoDock Suite is a growing collection of methods for computational docking and virtual screening, for use in structure-based drug discovery and exploration of the basic mechanisms of biomolecular structure and function.

NGC Catalog

https://ngc.nvidia.com/catalog/containers/hpc:autodock

Available Versions on RCAC Clusters

Cluster	Versions
ANVIL	2020.06
GILBRETH	2020.06, 2025.11
SCHOLAR	2020.06

Module

You can load the container module by:

module load ngc
module load autodock

Note for using autodock

Run module spider autodock beforehand to check available versions and any prerequisite modules.