Force-kernel eABF: a PLUMED enhanced-sampling plugin that delivers smooth mean-force estimates and free-energy landscapes from the earliest stages of sampling.
molecular-dynamics computational-chemistry kernel-methods biophysics enhanced-sampling plumed metadynamics aimd rare-events abf collective-variables free-energy-calculations nadaraya-watson-regression opes eabf
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Updated
May 4, 2026 - C++