Bug#680087: ITP: openmm -- library for molecular dynamics
Owner: Steffen Moeller <email@example.com>
* Package name : openmm
Version : 4.1
* URL : https://simtk.org/home/openmm_suite
* License : custom
Programming Lang: C++, Python
Description : library for molecular dynamics
OpenMM is a library which provides tools for modern molecular modeling
simulation. As a library it can be hooked into any code, allowing that
code to do molecular modeling with minimal extra coding.
Moreover, OpenMM has a strong emphasis on hardware acceleration, thus
providing not just a consistent API, but much greater performance than
what one could get from just about any other code available.
A package is 2/3rd complete on
lacking python packages and various smaller bits like watch files.