Machine Learning Potentials are a powerful tool for high accuracy simulation. See our new tutorial on using them in OpenMM. openmm.github.io/openmm-cookb...

The constant potential method, a new feature in OpenMM 8.4, allows you to simulate electrodes and other conductive materials. To learn how it works and how to use it in OpenMM, we’ve added a tutorial at openmm.github.io/openmm-cookb....

OpenMM 8.4 now includes an implementation of the adaptive quantum thermal bath algorithm. To learn how to use it in your simulations, try out our new tutorial on nuclear quantum effects at openmm.github.io/openmm-cookb....

We’ve recently updated and refreshed the OpenMM Tutorials, which now include a series of four introductory tutorials designed to teach the basics of OpenMM to first-time users. Check them out at openmm.github.io/openmm-cookb....

OpenMM 8.4 has been released! New features in this version include adaptive quantum thermal bath, constant potential, Tinker file support, orientation restraints, radius of gyration calculation, and more. Install the "openmm" package from conda-forge and PyPI or get it at github.com/openmm/openm....

The release candidate of OpenMM 8.4 is now available. Please test it and see if it works. Assuming no further problems are found, the release will follow in about a week. Thanks to all who tried out the beta version to look for issues! github.com/openmm/openm...

The beta of OpenMM 8.4 is now available! Features coming to this release include adaptive quantum thermal bath, constant potential, Tinker input file format support, and more. Please test it out, try the new features, and tell us if you find any problems. github.com/openmm/openm...

We've started planning for a future 8.4 release of OpenMM! Feel free to visit our discussion forum to comment on proposed features and make suggestions: see github.com/openmm/openm....

OpenMM 8.3.1, a patch release containing fixes for a few issues present in OpenMM 8.3.0, has been released. It is available as "openmm" on conda-forge and PyPI, as well as at github.com/openmm/openm....

We have created a release candidate for OpenMM 8.3.1, a patch release containing resolutions for a few issues present in the recent release of OpenMM 8.3.0. Please test it and tell us if you find any problems. github.com/openmm/openm...

This blog post from NVIDIA describes how to use MPS with OpenMM to improve your overall simulation throughput. developer.nvidia.com/blog/maximiz...

OpenMM 8.3, including updated force fields, a new DPD (dissipative particle dynamics) integrator, pressure calculation, and other new features and improvements, has been released. It is available as "openmm" on conda-forge and PyPI, as well as at github.com/openmm/openm....

The release candidate of OpenMM 8.3 is now available. Please test it and see if it works. Assuming no problems are found, the release will follow in about a week. github.com/openmm/openm...

The beta of OpenMM 8.3 is now available! Please test it, try the new features, and tell us if you find any problems. github.com/openmm/openm...

OpenMM 8.3 will add support for Dissipative Particle Dynamics (DPD). Try it in the latest development build with "mamba install -c conda-forge/label/openmm_dev openmm". Documentation is online at docs.openmm.org/development/....

Benchmarks of OpenMM running on the NVIDIA RTX 5090 GPU are now available: for more information, visit the OpenMM benchmarks page at openmm.org/benchmarks.

We have a prototype implementation of constant pH dynamics in OpenMM. We’d love your feedback on it! github.com/peastman/ope...

The OpenMM-Torch plugin for using PyTorch models as forces is now available for Windows. You can install it with “mamba install -c conda-forge openmm-torch”, just like on other platforms. github.com/openmm/openm...

This is the official Bluesky account of the OpenMM project. Follow us for occasional news and announcements about OpenMM, including information about new releases, experimental features needing testing, and more.