• License: MIT
• Home: https://github.com/SSAGESLabs/openmm-dlext
• Development: https://github.com/SSAGESLabs/openmm-dlext
• Documentation: https://github.com/SSAGESLabs/openmm-dlext
• 99630 total downloads
• Last upload: 5 months and 17 days ago

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.