Overview
The core supplies simulation and programmable-force infrastructure. Learned models require the separately installed OpenMM-ML extension and model packages; they are not all bundled with OpenMM.
Limitations
Licenses vary by OpenMM component. Install OpenMM-ML and model dependencies separately. Installation and simulation were not tested here.
Key Features
- Molecular simulation infrastructure
- Learned potentials through an official extension
Use Cases
- Build learned-potential simulation workflows
- Evaluate mixed conventional and learned interactions
How to Use
Read the OpenMM documentation and official OpenMM-ML README, prepare the engine, extension and model package, then follow a suitable system-building example.