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Search: gamd-openmm

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MiaoLab20/gamd-openmm

GitHub Python MIT License

Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost potential to smooth the potential energy surface and reduce system energy barriers. http://miaolab.or... Read more

★ 102 Forks 26 MiaoLab20 Updated 28 May 2026

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