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openmm-dlext

Community

Plugin for OpenMM providing simulation data wrappers as DLPack data structures

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::openmm-dlext

Usage Tracking

0.2.1
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

The plugin is intended to provide a OpenMM::Force derived class that does no direct computation, but instead uses DLPack wrappers around CPU or GPU OpenMM::Platform data for an initialized instance of OpenMM::Contex, and a callback interface to perform computations on such data outside the plugin.

About

Summary

Plugin for OpenMM providing simulation data wrappers as DLPack data structures

Last Updated

Jun 28, 2022 at 12:26

License

MIT

Total Downloads

250.9K

Version Downloads

251.0K

Supported Platforms

macOS-64
linux-64