190 Open source projects that are alternatives of or similar to Qball

Tool to run many small MPI jobs inside of one large MPI job.

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

Python bindings for MPI

Highly parallel DBSCAN (HPDBSCAN)

UCL-RITS *C++ for Research* engineering course

LibTomMath is a free open source portable number theoretic multiple-precision integer library written entirely in C.

A parallel, fast solver for the scalar advection-diffusion and the incompressible Navier-Stokes equations based on semi-Lagrangian/Volume-Integral method.

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Distributed Julia arrays using the MPI protocol

This is a set of simple programs that can be used to explore the features of a parallel platform.

Framework of vectorized and distributed data analytics

AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations

distributed dataflows with functional list operations for data processing with C++14

A dynamic microsimulation framework for python

MPI Memory Consumption Utilities

Fast Fourier transforms of MPI-distributed Julia arrays

High-performance stateful serverless runtime based on WebAssembly

www.eemodelingsystem.com

A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simulation with modules.

DBCSR: Distributed Block Compressed Sparse Row matrix library

An open library for the analysis of molecular dynamics trajectories

Análisis numérico y cómputo científico

Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface.

Python interface of cpptraj

Examples for MPI Spawning and Splitting, and the differences between two implementations

HOOMD-blue example scripts.

Almost trivial distributed parallelization of stencil-based GPU and CPU applications on a regular staggered grid

John the Ripper jumbo - advanced offline password cracker, which supports hundreds of hash and cipher types, and runs on many operating systems, CPUs, GPUs, and even some FPGAs

In silico chemical library engine for high-accuracy chemical property prediction

Extreme-scale Discontinuous Galerkin Environment (EDGE)

Modern Fortran wrappers around MPI routines

Unified Communication X (mailing list - https://elist.ornl.gov/mailman/listinfo/ucx-group)

ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.

Parallel Processing - Matrix Multiplication (Cannon, DNS, LUdecomp)

This repository consists for gpu bootcamp material for HPC and AI

A curated list of Python packages related to chemistry

Efficient and scalable parallelism using the message passing interface (MPI) to handle big data and highly computational problems.

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

wxParaver is a trace-based visualization and analysis tool designed to study quantitative detailed metrics and obtain qualitative knowledge of the performance of applications, libraries, processors and whole architectures.

C++ library for solving large sparse linear systems with algebraic multigrid method

Vectors and sparse matrices partitioned into pieces for parallel distributed-memory computations.

How to analyze molecular dynamics data with PyEMMA

一週間でなれる！スパコンプログラマ

Ongoing development of the Fuzzball MUCK server software and associated functionality.

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

YASK--Yet Another Stencil Kit: a domain-specific language and framework to create high-performance stencil code for implementing finite-difference methods and similar applications.

SchNetPack - Deep Neural Networks for Atomistic Systems

Tinker: Software Tools for Molecular Design

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine

Official MPICH Repository

Tinker9: Next Generation of Tinker with GPU Support

OpenHPC Integration, Packaging, and Test Repo

library of C++ functions that support applications of Stan in Pharmacometrics

Discontinuous Galerkin solver for compressible flows

parallel Raster Processing Library (pRPL) is a MPI-enabled C++ programming library that provides easy-to-use interfaces to parallelize raster/image processing algorithms

Basic tutorial for ESMPy Python package

Official git repository of Elmer FEM software

Python extension language using accelerators