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PAPER – Accelerating parallel evaluations of ROCS

Imran S. Haque, Vijay S. Pande

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Tags: Chemistry, Computational chemistry, CUDA, Molecular overlay, nVidia, nVidia GeForce 8600 GT, nVidia GeForce 8800 GTX, nVidia GeForce GTX 280, Package, ROCS, Shape comparison

November 3, 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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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

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

Allo: Accelerator Design Language

Dato: A Task-Based Programming Model for Dataflow Accelerators

Towards Robust Agentic CUDA Kernel Benchmarking, Verification, and Optimization

torchPDLP: Primal-Dual Linear Programming in PyTorch. In collaboration with AMD and IPAM

Accelerating a Linear Programming Algorithm on AMD GPUs

Benchmarks for Dissecting CPU-GPU Unified Physical Memory on AMD MI300A APUs

Dissecting CPU-GPU Unified Physical Memory on AMD MI300A APUs

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high performance computing on graphics processing units: hgpu.org

Packages

PAPER – Accelerating parallel evaluations of ROCS

Accelerating molecular dynamic simulation on graphics processing units

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

Recent source codes

Allo: Accelerator Design Language

Towards Robust Agentic CUDA Kernel Benchmarking, Verification, and Optimization

HPC Benchmark Survey

HDM: Home made Diffusion Models

General Matrix Multiplication (GEMM)

CrossTL: Universal Programming Language & Translator

TBD-GPU

DG-SWEM - The Discontinuous Galerkin Shallow Water Equation Model

torchPDLP: Primal-Dual Linear Programming in PyTorch. In collaboration with AMD and IPAM

Benchmarks for Dissecting CPU-GPU Unified Physical Memory on AMD MI300A APUs

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