A high-performance toolkit for molecular simulation. Visit us at https://openmm.org/ and https://github.com/openmm.https://bsky.app/profile/openmm.orghttps://bsky.app/profile/openmm.org/post/3mvsj5truck2hMLIPOps 0.6.0 has been released. This release adds support for charge equilibration, as well as computing electric potentials. https://github.com/openmm/mlipops/releases/tag/0.6.018 Sep 2026 15:44 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mvsj5truck2hhttps://bsky.app/profile/openmm.org/post/3mviigat3w22vOpenMM 8.6.1 has been released. This is a patch release with various bugfixes. PyPI and conda-forge packages are now available. For more information, see https://github.com/openmm/openmm/releases/tag/8.6.114 Sep 2026 16:04 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mviigat3w22vhttps://bsky.app/profile/openmm.org/post/3mufakk3nvk2rReplica exchange and expanded ensemble sampling methods are new additions to the latest release of OpenMM. For a practical introduction to using these multistate sampling features, check out our new tutorials at https://openmm.github.io/openmm-cookbook/latest/notebooks/tutorials/replica_exchange.html and https://openmm.github.io/openmm-cookbook/latest/notebooks/tutorials/expanded_ensemble.html.31 Aug 2026 15:41 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mufakk3nvk2rhttps://bsky.app/profile/openmm.org/post/3mthv4jriik2aOpenMM 8.6.0 has been released! This version includes new replica exchange and expanded ensemble sampling features, new barostat options, performance improvements, and more. Install "openmm" from PyPI or conda-forge. More details and source code are available from https://github.com/openmm/openmm/releases/tag/8.6.0.19 Aug 2026 23:29 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mthv4jriik2ahttps://bsky.app/profile/openmm.org/post/3mswblhmyec2vThe release candidate of OpenMM 8.6 is now available. If you try it out, please let us know of any issues you find; if no further problems are found, the release should follow in about a week. https://github.com/openmm/openmm/discussions/5345#discussioncomment-1799482512 Aug 2026 23:24 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mswblhmyec2vhttps://bsky.app/profile/openmm.org/post/3mro4poiwkk22MLIPOps is a new project providing fast, portable implementations of common operations in machine learning potentials. Neighbor lists, Coulomb, dispersion, batch processing, and more. The first release is out and we’d love feedback! https://github.com/openmm/openmm/discussions/536528 Jul 2026 00:10 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mro4poiwkk22https://bsky.app/profile/openmm.org/post/3mqchq4y7us2yThe beta of OpenMM 8.6 is now available for testing! This release has new methods for multistate sampling (replica exchange and expanded ensemble sampling), new barostat functionality, and performance improvements. Please test it out and let us know if you find any issues: https://github.com/openmm/openmm/discussions/534510 Jul 2026 15:30 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mqchq4y7us2yhttps://bsky.app/profile/openmm.org/post/3mo44s4ezlc2bOpenMM 8.5.2 (https://github.com/openmm/openmm/releases/tag/8.5.2) and OpenMM-ML 1.7 (https://github.com/openmm/openmm-ml/releases/tag/1.7) have been released. These releases include various bugfixes, including to an issue preventing PyTorch-based ML models from running in certain circumstances. PyPI and conda-forge packages are now available.12 Jun 2026 16:08 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mo44s4ezlc2bhttps://bsky.app/profile/openmm.org/post/3mnsgenvfp22tOur paper on benchmarking pretrained machine learning potentials has been published in the Journal of Chemical Theory and Computation, and now includes updated performance data as well as more details on model accuracy. Read it at https://doi.org/10.1021/acs.jctc.6c0013008 Jun 2026 19:33 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mnsgenvfp22thttps://bsky.app/profile/openmm.org/post/3mkl4dtbg622oOpenMM 8.5 includes a new local energy minimizer implementation that runs entirely on the GPU and is used automatically on any of OpenMM’s GPU-accelerated platforms. Our benchmarks demonstrate a 4-6x speedup on systems of various sizes.28 Apr 2026 17:29 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mkl4dtbg622ohttps://bsky.app/profile/openmm.org/post/3mk22yc2zp22mThe LCPO (linear combination of pairwise overlaps) surface area method for implicit solvent simulations has been added to OpenMM 8.5. Add it to your simulation using ForceField.createSystem(sasaMethod='LCPO'). Read more in the user guide: https://docs.openmm.org/latest/userguide/application/02_running_sims.html#implicit-solvent21 Apr 2026 22:50 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mk22yc2zp22mhttps://bsky.app/profile/openmm.org/post/3mj6dytu3kc2nOpenMM 8.5.1 has been released. This is a patch release containing a few bug fixes. Packages have been published to conda-forge and PyPI as usual; see also https://github.com/openmm/openmm/releases/tag/8.5.110 Apr 2026 22:16 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mj6dytu3kc2nhttps://bsky.app/profile/openmm.org/post/3mifattrs5c2hOpenMM-ML 1.6 has been released! It supports a much wider range of models (including MACE-OMOL-0, FeNNix-Bio1, and Orb-v3). You can also use OpenMM with any package that supports the ASE (Atomic Simulation Environment) Calculator interface. "pip install openmmml". https://github.com/openmm/openmm-ml31 Mar 2026 22:43 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mifattrs5c2hhttps://bsky.app/profile/openmm.org/post/3mhjqifgwgc2oOpenMM 8.5.0 has been released! New features include GPU-accelerated energy minimization, support for custom Python computation of energies and forces, the LCPO surface area for implicit solvation, and more. Install "openmm" from PyPI or conda-forge, or get the source at https://github.com/openmm/openmm/releases/tag/8.5.021 Mar 2026 00:09 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mhjqifgwgc2ohttps://bsky.app/profile/openmm.org/post/3mgxfb7lkzk22The release candidate of OpenMM 8.5 is now available. If you try it out, please let us know of any issues you find; if no further problems are found, the release should follow in about a week. https://github.com/openmm/openmm/discussions/5194#discussioncomment-1612128613 Mar 2026 17:00 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mgxfb7lkzk22https://bsky.app/profile/openmm.org/post/3mg4fjricnc2pIf you're interested in trying out the beta of OpenMM 8.5 and haven't had a chance to do so yet, we're just over halfway through the beta period. Let us know of any issues you find so we can try to get them fixed before the release candidate comes out late next week. https://github.com/openmm/openmm/issues02 Mar 2026 23:23 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mg4fjricnc2phttps://bsky.app/profile/openmm.org/post/3merogfw2p22pThe beta of OpenMM 8.5 is now available! New features include energy minimization entirely on the GPU, an API that lets custom Python code compute forces, the LCPO surface area method for implicit solvation, and more. Please try it out and tell us if you find any problems. https://github.com/openmm/openmm/discussions/5194#discussioncomment-1578891713 Feb 2026 23:38 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3merogfw2p22phttps://bsky.app/profile/openmm.org/post/3mdvfqlqxkk22We're planning for the next (8.5) version of OpenMM and hoping to make a beta release soon. Feel free to review and discuss the proposed list of new features at https://github.com/openmm/openmm/discussions/519402 Feb 2026 17:48 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mdvfqlqxkk22https://bsky.app/profile/openmm.org/post/3mdejnsz5ik2iOur new paper provides benchmarks of various pretrained machine learning interatomic potentials for accuracy, computational efficiency, memory use, and simulation stability. Read the preprint on ArXiv: arxiv.org/abs/2601.16331 https://arxiv.org/abs/2601.1633127 Jan 2026 00:42 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3mdejnsz5ik2ihttps://bsky.app/profile/openmm.org/post/3m7inzygrck2zMachine Learning Potentials are a powerful tool for high accuracy simulation. See our new tutorial on using them in OpenMM. https://openmm.github.io/openmm-cookbook/latest/notebooks/tutorials/machine_learning_potentials.html08 Dec 2025 18:31 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3m7inzygrck2zhttps://bsky.app/profile/openmm.org/post/3m6xlvkm3vs22The 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 https://openmm.github.io/openmm-cookbook/latest/notebooks/tutorials/constant_potential.html.01 Dec 2025 23:37 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3m6xlvkm3vs22https://bsky.app/profile/openmm.org/post/3m5hdiw2r6k2vOpenMM 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 https://openmm.github.io/openmm-cookbook/latest/notebooks/tutorials/nuclear_quantum_effects.html.12 Nov 2025 18:59 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3m5hdiw2r6k2vhttps://bsky.app/profile/openmm.org/post/3m4vjprfsak2aWe’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 https://openmm.github.io/openmm-cookbook/latest/tutorials.05 Nov 2025 17:02 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3m4vjprfsak2ahttps://bsky.app/profile/openmm.org/post/3m4f2puqhl22cOpenMM 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 https://github.com/openmm/openmm/releases/tag/8.4.0.30 Oct 2025 03:51 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3m4f2puqhl22chttps://bsky.app/profile/openmm.org/post/3m3t2gootrs2gThe 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! https://github.com/openmm/openmm/discussions/5087#discussioncomment-1475597122 Oct 2025 23:58 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3m3t2gootrs2ghttps://bsky.app/profile/openmm.org/post/3lzgnt2iyu22wThe 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. https://github.com/openmm/openmm/discussions/508722 Sep 2025 14:50 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3lzgnt2iyu22whttps://bsky.app/profile/openmm.org/post/3lxb53ruess2pWe'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 https://github.com/openmm/openmm/discussions/5051.25 Aug 2025 23:17 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3lxb53ruess2phttps://bsky.app/profile/openmm.org/post/3luitgqcpt22pOpenMM 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 https://github.com/openmm/openmm/releases/tag/8.3.1.21 Jul 2025 20:30 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3luitgqcpt22phttps://bsky.app/profile/openmm.org/post/3ltnm7foop22lWe 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. https://github.com/openmm/openmm/issues/4999#issuecomment-305960039411 Jul 2025 00:39 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3ltnm7foop22lhttps://bsky.app/profile/openmm.org/post/3lstyvruji22fThis blog post from NVIDIA describes how to use MPS with OpenMM to improve your overall simulation throughput. https://developer.nvidia.com/blog/maximizing-openmm-molecular-dynamics-throughput-with-nvidia-multi-process-service/30 Jun 2025 20:17 +0000at://did:plc:zfmwsjpdivaeuslbdujhchpw/app.bsky.feed.post/3lstyvruji22f