Autodock-gpu

Version:

4.2.6

OpenCL and Cuda accelerated version of AutoDock4.2.6. It leverages its embarrasingly parallelizable LGA by processing ligand-receptor poses in parallel over multiple compute units. We have installed only CUDA version, since OpenCL is not supported on Power9 architecture.

Target user:

all

Official web site:

https://ccsb.scripps.edu/autodock/

Support level:

low

Related Commands:

You can load the module with the command:

module load autoload autodock-gpu/4.2.6

Help and documentation:

You can find documentation on the system, with the command:

module help autodock-gpu

Deadline:

12/02/2022

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