OpenMM

openmm.orgsite

High-performance toolkit for molecular simulation and GPU-accelerated MD.

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Cheminformatics, Computational Biology

added

2026-10-10

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Cheminformatics › Libraries > Molecular Dynamics: “High performance toolkit for molecular simulation including extensive language bindings for Python, C, C++, and even Fortran.”

Computational Biology › Preprocessing Tools: “High-performance toolkit for molecular simulation and GPU-accelerated MD.”