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Autodock-gpu

Version: 
4.2.6 (M100)

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
Support level: 
low
Help and documentation: 

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

module help autodock-gpu


Deadline: 
12/02/2022