high performance computing on graphics processing units: hgpu.org

hgpu.org » Biophysics

A Novel Multi-GPU Neural Simulator

C. M. Thibeault, R. Hoang, F. C. Harris Jr.

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Tags: Biology, Biophysics, CUDA, Neuroscience, nVidia, nVidia GeForce GTX 480

December 14, 2011 by hgpu

GPGPU-assisted prediction of ion binding sites in proteins

Leonid Uroshlev, Sergei Rahmanov, Ivan Kulakovskiy, Vsevolod Makeev

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Tags: Biology, Biophysics, CUDA, Molecular modeling, nVidia

October 7, 2011 by hgpu

Single molecule detection of tuberculosis nucleic acid using dark field Tethered Particle Motion

Sanneke Brinkers, Heidelinde R.C. Dietrich, Sjoerd Stallinga, Jurriaan J. Mes, Ian T. Young, Bernd Rieger

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Tags: Algorithms, Biology, Biophysics, RNA

June 9, 2011 by hgpu

Data-parallel algorithms for large-scale real-time simulation of the cellular potts model on graphics processing units

Jose Juan Tapia, Roshan D'Souza

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Tags: Biophysics, CUDA, Data Structures and Algorithms, nVidia, nVidia GeForce GTX 280, OpenGL, Physics, Programming techniques

April 9, 2011 by hgpu

Evaluating force field accuracy with long-time simulations of a beta-hairpin tryptophan zipper peptide

N. R. Hayre, R. R. Singh, D. L. Cox

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Tags: Biophysics, Chemistry, CUDA, Molecular dynamics, nVidia, nVidia GeForce GTX 285

March 22, 2011 by hgpu

Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3

Tetsu Narumi, Kenji Yasuoka, Makoto Taiji, Francesco Zerbetto, Siegfried Hofinger

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Tags: Biomolecules, Biophysics, Chemistry, Molecular simulation, nVidia, nVidia GeForce GTX 280, Poisson Boltzmann

January 25, 2011 by hgpu

A molecular docking system using CUDA

Youngtae Roh, Jun Lee, Sungjun Park, Jee I. Kim

Tags: Bioinformatics, Biology, Biophysics, Chemistry, Molecular dynamics

November 9, 2010 by hgpu

Graphics processing unit implementation of lattice Boltzmann models for flowing soft systems

Massimo Bernaschi, Ludovico Rossi, Roberto Benzi, Mauro Sbragaglia, Sauro Succi

Tags: Biophysics, Computer science, Lattice Boltzmann model

November 2, 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

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

GPU Computing

John D. Owens,Mike Houston,David Luebke,Simon Green,John E. Stone,James C. Phillips

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Tags: Biophysics, Computer science, Game physics, Review

October 27, 2010 by hgpu

gpu_tracker: Context manager and CLI that tracks the computational-resource-usage of a code block or shell command, particularly the GPU usage

gpu_tracker: Python package for tracking and profiling GPU utilization in both desktop and high-performance computing environments

LOOPer: a polyhedral compiler for expressing fast and portable data parallel algorithms

LOOPer: A Learned Automatic Code Optimizer For Polyhedral Compilers

OpenMC Monte Carlo Code

Performance Portable Monte Carlo Particle Transport on Intel, NVIDIA, and AMD GPUs

Polygeist: C/C++ frontend for MLIR

Retargeting and Respecializing GPU Workloads for Performance Portability

Parallel Gaussian process with kernel approximation in CUDA

Optical flow algorithms for SYCL

SYCL in the edge: performance and energy evaluation for heterogeneous acceleration

OpenMP5-Offload-OpenMC-Intel-PVC

Distributed OpenMP Offloading of OpenMC on Intel GPU MAX Accelerators

See all packages

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high performance computing on graphics processing units: hgpu.org

A Novel Multi-GPU Neural Simulator

GPGPU-assisted prediction of ion binding sites in proteins

Single molecule detection of tuberculosis nucleic acid using dark field Tethered Particle Motion

Data-parallel algorithms for large-scale real-time simulation of the cellular potts model on graphics processing units

Evaluating force field accuracy with long-time simulations of a beta-hairpin tryptophan zipper peptide

Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3

A molecular docking system using CUDA

Graphics processing unit implementation of lattice Boltzmann models for flowing soft systems

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

GPU acceleration of a production molecular docking code

GPU Computing

Recent source codes

QArray

Celerity: High-level C++ for Accelerator Clusters

CIFAR-10 Airbench: 94% on CIFAR-10 in 3.29 second

gpu_tracker: Context manager and CLI that tracks the computational-resource-usage of a code block or shell command, particularly the GPU usage

LOOPer: a polyhedral compiler for expressing fast and portable data parallel algorithms

OpenMC Monte Carlo Code

Polygeist: C/C++ frontend for MLIR

Parallel Gaussian process with kernel approximation in CUDA

Optical flow algorithms for SYCL

OpenMP5-Offload-OpenMC-Intel-PVC

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