OpenMM is a high-performance toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, as a library you call from your own code, or a flexible programming environment.
The project includes extensive language bindings for Python, C, C++, and even Fortran.
This is free and open source software.
Key Features
- Optimized for the latest generation of compute hardware, including NVIDIA, AMD, and Intel GPUs. It’s also heavily optimized for CPUs.
- Custom Forces – write a force expression as a string and the software generate code to compute it.
- Simple user interface to prepare input files, configure options, and run simulations.
Website: openmm.org
Support: GitHub Code Repository
Developer: OpenMM team
License: MIT or GNU Lesser General Public License
OpenMM is written in C++ and C. Learn C++ with our recommended free books and free tutorials. Learn C with our recommended free books and free tutorials.
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Read our verdict in the software roundup.
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