high performance computing on graphics processing units: hgpu.org

Applications

Accelerating molecular modeling applications with graphics processors

John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten

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Tags: Chemistry, Computational chemistry, CUDA, Electrostatic potential, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce 8800 GTX

October 30, 2010 by hgpu

Accelerating molecular dynamic simulation on graphics processing units

Mark S. Friedrichs, Peter Eastman, Vishal Vaidyanathan, Mike Houston, Scott Legrand, Adam L. Beberg, Daniel L. Ensign, Christopher M. Bruns, Vijay S. Pande

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Source codes

Tags: ATI, ATI Radeon HD 4870, ATI Stream, Biology, Brook, Chemistry, Computational chemistry, Molecular dynamics, nVidia, nVidia GeForce GTX 280, Package, Solvent effects

October 30, 2010 by hgpu

CUSA and CUDE: GPU-accelerated methods for estimating solvent accessible surface area and desolvation

David Dynerman, Erick Butzlaff, Julie C. Mitchell

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Tags: Bioinformatics, Biology, Biophysics, Chemistry, Computational biology, CUDA, Molecular dynamics, nVidia, nVidia GeForce GTX 280, Solvent effects

October 29, 2010 by hgpu

Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approach

Tetsu Narumi, Kenji Yasuoka, Makoto Taiji, Siegfried Hofinger

Tags: ASIC, Chemistry, Computational chemistry, MDGRAPE, Poisson Boltzmann, Solvent effects

October 29, 2010 by hgpu

GPU acceleration of cutoff pair potentials for molecular modeling applications

Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen Mei

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Tags: Algorithms, Biology, Chemistry, CUDA, Medicine, Molecular dynamics, nVidia, Tesla C870

October 28, 2010 by hgpu

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

M. J. Harvey, G. De Fabritiis

Tags: Chemistry, Computational chemistry, Molecular dynamics, nVidia

October 28, 2010 by hgpu

GPU acceleration of a production molecular docking code

Bharat Sukhwani, Martin C. Herbordt

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Tags: Bioinformatics, Biophysics, Chemistry, FPGA, Molecular dynamics, nVidia, Tesla C1060

October 27, 2010 by hgpu

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

M. J. Harvey, G. Giupponi, G. De Fabritiis

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Tags: Biological Physics, Chemistry, Computational Physics, CUDA, GPU cluster, Molecular dynamics, nVidia, nVidia GeForce GTX 280, Package, Physics, Tesla C1060

October 27, 2010 by hgpu

clRNG: an OpenCL based software library containing random number generation functions

A tool set for random number generation on GPUs in R

A Compiler Framework for Optimizing Dynamic Parallelism on GPUs

GPOEO: a micro-intrusive GPU online energy optimization framework for iterative applications

Dynamic GPU Energy Optimization for Machine Learning Training Workloads

CFU Playground: Full-Stack Open-Source Framework for Tiny Machine Learning (tinyML) Acceleration on FPGAs

From Loop Fusion to Kernel Fusion: A Domain-specific Approach to Locality Optimization

System-Level Optimization and Code Generation for Graphics Processors using a Domain-Specific Language

Faster-Mean-Shift-Euc

GPU-accelerated Faster Mean Shift with euclidean distance metrics

Turbo: A constraint solver purely on GPUs (CUDA)

A Variant of Concurrent Constraint Programming on GPU

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high performance computing on graphics processing units: hgpu.org

Applications

Accelerating molecular modeling applications with graphics processors

Accelerating molecular dynamic simulation on graphics processing units

CUSA and CUDE: GPU-accelerated methods for estimating solvent accessible surface area and desolvation

Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approach

GPU acceleration of cutoff pair potentials for molecular modeling applications

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

GPU acceleration of a production molecular docking code

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

Recent source codes

clRNG: an OpenCL based software library containing random number generation functions

DLRM: An implementation of a deep learning recommendation model

OpenMM: A High Performance Molecular Dynamics Library

Fancier High-Performance API

A Compiler Framework for Optimizing Dynamic Parallelism on GPUs

GPOEO: a micro-intrusive GPU online energy optimization framework for iterative applications

From Loop Fusion to Kernel Fusion: A Domain-specific Approach to Locality Optimization

Faster-Mean-Shift-Euc

Turbo: A constraint solver purely on GPUs (CUDA)

Most viewed papers (last 30 days)