Giters

radoneman / openmm

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

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

OpenMM: A High Performance Molecular Dynamics Library

Introduction

OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes.

Getting Help

Need Help? Check out the documentation and discussion forums.

C++ API Reference

Python API Reference

Badges

  • Travis CI linux integration tests: Build Status
  • Anaconda Cloud openmm conda release: Binstar openmm conda release
  • Anaconda Cloud openmm-dev conda package: Binstar openmm-dev conda package

About

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

Languages

Language:C++ 80.2%Language:Python 9.9%Language:Cuda 4.6%Language:C 4.2%Language:CMake 0.9%Language:TeX 0.1%Language:Shell 0.1%Language:Makefile 0.1%Language:Common Lisp 0.0%Language:Cool 0.0%Language:HTML 0.0%