OpenMM

{{Short description|Molecular dynamics software}}

{{Infobox software

| name = OpenMM

| logo =

| screenshot =

| caption =

| author = Peter Eastman

| developer = Stanford University
Memorial Sloan Kettering Cancer Center
Pompeu Fabra University
National Heart, Lung, and Blood Institute

| released = {{Start date and age|January 20, 2010}}{{cite web | title=SimTK: OpenMM: Downloads | website=SimTK | date=2020-12-10 | url=https://simtk.org/frs/?group_id=161 | access-date=2022-09-09}}

| latest release version = 8.2.0

| latest release date = {{Start date and age|2024|11|08|df=yes}}{{cite web | title=Release OpenMM 8.2.0 · openmm/openmm | website=GitHub | date=2024-11-08 | url=https://github.com/openmm/openmm/releases/tag/8.2.0 | access-date=2025-02-27}}

| programming language = C++, C, CUDA, Python

| operating system = Linux, macOS, Windows

| platform = Many

| size =

| language = English

| genre = Molecular dynamics

| license = MIT License
LGPL

| website = {{URL|https://openmm.org/}}

}}

OpenMM is a library for performing molecular dynamics simulations on a wide variety of hardware architectures. First released in January 2010,{{cite web | title=SimTK: OpenMM: Downloads | website=SimTK | date=2020-12-10 | url=https://simtk.org/frs/?group_id=161 | access-date=2022-09-09}} it was written by Peter Eastman at the Vijay S. Pande lab at Stanford University. It is notable for its implementation in the Folding@home project's core22 kernel. Core22, also developed at the Pande lab, uses OpenMM to perform protein dynamics simulations on GPUs via CUDA and OpenCL. During the COVID-19 pandemic, a peak of 280,000 GPUs were estimated to be running OpenMM via core22.{{cite journal | last1=Zimmerman | first1=Maxwell I. | last2=Porter | first2=Justin R. | last3=Ward | first3=Michael D. | last4=Singh | first4=Sukrit | last5=Vithani | first5=Neha | last6=Meller | first6=Artur | last7=Mallimadugula | first7=Upasana L. | last8=Kuhn | first8=Catherine E. | last9=Borowsky | first9=Jonathan H. | last10=Wiewiora | first10=Rafal P. | last11=Hurley | first11=Matthew F. D. | last12=Harbison | first12=Aoife M. | last13=Fogarty | first13=Carl A. | last14=Coffland | first14=Joseph E. | last15=Fadda | first15=Elisa | last16=Voelz | first16=Vincent A. | last17=Chodera | first17=John D. | last18=Bowman | first18=Gregory R. | title=SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome | journal=Nature Chemistry | publisher=Springer Science and Business Media LLC | volume=13 | issue=7 | date=2021-05-24 | issn=1755-4330 | doi=10.1038/s41557-021-00707-0 | pages=651–659| doi-access=free | pmid=34031561 | pmc=8249329 | bibcode=2021NatCh..13..651Z }}