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OpenMM

OpenMM is a toolkit for molecular simulation.

homepage: https://openmm.org

Available installations

OpenMM version Supported CPU targets Supported GPU targets EESSI version Module
8.5.2 generic: aarch64, x86_64
Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/grace
AMD: zen2, zen3, zen4, zen5
Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake
(none) 2025.06 OpenMM/8.5.2-foss-2025b