openmm-dlext
Plugin for OpenMM providing simulation data wrappers as DLPack data structures
Plugin for OpenMM providing simulation data wrappers as DLPack data structures
To install this package, run one of the following:
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.
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
GitHub Repository
https://github.com/SSAGESLabs/openmm-dlextDocumentation
https://github.com/SSAGESLabs/openmm-dlext