Skip to content

bas-rustenburg/openmmtools

 
 

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

74 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Linux Build Status

Various Python tools for OpenMM

openmmtools.testsystems

This repository contains a suite of molecular systems that can be used for the testing of various molecular mechanics related software. The idea is that this repository will host a number classes that generate OpenMM objects for simulating the desired systems.

These classes will also contain the member functions that calculate known analytical properties of these systems, enabling the proper testing.

About

Test systems for OpenMM

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • Python 61.9%
  • CSS 34.7%
  • Makefile 2.4%
  • Other 1.0%