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autodock-gpu

AutoDock for GPUs using OpenCL

avida

ball_game

benchmarks

Benchmarks for experimentation of performance of features of OpenMP in the SOLLVE project.

berkeleylab-cs-roofline-toolkit-581c276e3eca

Roofline

code-samples

Source code examples from the Parallel Forall Blog

cuda-sample

CUDA official sample codes

deep-learning-hpc-project-template

A PyTorch Lightning project template adapted for high-performance computing clusters such as Summit and Fugaku

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

fftw3

This is the official repository for the FFTW Fourier transform library, version 3.x

final-projects

A blank repository to hold all kinds of final project miscellaney

github-actions-for-ci-cd-4375061

This repo is for the Linkedin Learning course: GitHub Actions for CI/CD

hecbench

iotkit-comm-c

Iotkit-comm-c is a c/c++ library that allows network-connected devices to conveniently discover and communicate with each other and the cloud.

ising

seed code for Ising model projects

lightdock

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

louvain-offload

Single Phase Louvain Method using OpenMP offload

mesa

Mesa is an agent-based modeling framework in Python

miniautodock-gpu

A miniapp based on AutoDock-GPU (https://github.com/ccsb-scripps/AutoDock-GPU)

miniqmc

QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments

minivite

MPI+OpenMP implementation of the first phase of Louvain method for Graph Community Detection

modeller

molecular_dynamics

seed code for MD projects

mpitutorial

MPI programming lessons in C and executable code examples

msu_thesis_template

multi-gpu-programming-models

Examples demonstrating available options to program multiple GPUs in a single node or a cluster

paraabios

ripples

A C++ Library for Influence Maximization

sbml-tools

students

practice repository for pull requests