Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. In 2007, Nvidia introduced video cards...

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graphics processing units (GPUs) for accelerated general-purpose processing, an approach called general-purpose computing on GPUs. CUDA was created by Nvidia...

units (CU) for AMD GPUs, or Xe cores for Intel discrete GPUs, which describe the number of on-silicon processor core units within the GPU chip that perform...

processing between one or more GPUs and CPUs that analyzes data as if it were in image or other graphic form. While GPUs operate at lower frequencies,...

purpose system built for molecular dynamics simulations, especially protein structure prediction Molecular modeling on GPU is the technique of using...

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anti-aliasing General-purpose computing on graphics processing units Huang's law Molecular modeling on GPUs GPU workstations Groq Officially written as...

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Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed mainly as a tool to view and analyze the...

multi-processor GPUs has enabled simulation of millions of agents at tens of frames per second. Since Agent-Based Modeling is more of a modeling framework than...

utilize multiple GPUs, due to the fact that most users cannot afford them. Multiple GPUs are still used on supercomputers (like in Summit), on workstations...

several supplied tools. GROMACS has had GPU offload support since Version 4.5, originally limited to Nvidia GPUs. GPU support has been expanded and improved...

Recently[ambiguous], C&EN magazine has a feature article covering molecular modeling on GPU and TeraChem. According to the 2010 post at the Nvidia blog, TeraChem...

Assisted Model Building with Energy Refinement (AMBER) is the name of a widely-used molecular dynamics software package originally developed by Peter Kollman's...

and NVIDIA GPUs using OpenCL and CUDA, if available. It uses OpenMM 7.5.1 v0.0.17 Available to Windows and Linux for AMD and NVIDIA GPUs using OpenCL...

Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems"...

Firefly (PC GAMESS), CP2K GPU accelerated molecular modeling Comparison of software for molecular mechanics modeling Molecular design software Ascalaph...

to create a parallel molecular dynamics code capable of running on large supercomputers for materials and biomolecular modeling. Initially written in...

based GPUs, SXM2 and SXM3 for Volta based GPUs, SXM4 for Ampere based GPUs, and SXM5 for Hopper based GPUs. These sockets are used for specific models of...

AutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU General...

perform protein dynamics simulations on GPUs via CUDA and OpenCL. During the COVID-19 pandemic, a peak of 280,000 GPUs were estimated to be running OpenMM...