MaterialsAtlas Software and Tool

OpenMM

molecular-dynamicsgpupythonforce-fieldssoftware-toolsmaterials-science-software

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GPU-accelerated Python/C++ toolkit for molecular dynamics, custom force fields, enhanced sampling integrations, and reproducible simulation workflows.

Citation: OpenMM. Materials science software/tool. https://openmm.org/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.

TypeSoftware and Tool

DomainMolecular simulation engine

LicenseMIT / LGPL

Contributorsopenmm.org