/tools/AutoDock-GPU

AutoDock-GPU

ccsb-scripps/AutoDock-GPU

559 stars140 forksC++WebsiteAdded February 4, 2026
summary

AutoDock-GPU is an accelerated version of the AutoDock software that utilizes GPU and OpenCL technologies to perform molecular docking simulations. It allows for efficient virtual screening of ligands against protein targets, enhancing the speed and performance of molecular docking studies.

description

AutoDock for GPUs and other accelerators

topics

molecular-dockingautodock4openclgpu-computingmulticore-cpucuda

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