https://github.com/aditya1707/forcekernel-eabf

Force-kernel eABF: a PLUMED enhanced-sampling plugin that delivers smooth mean-force estimates and free-energy landscapes from the earliest stages of sampling.

abf aimd biophysics collective-variables computational-chemistry eabf enhanced-sampling free-energy-calculations kernel-methods metadynamics molecular-dynamics nadaraya-watson-regression opes plumed rare-events

Last synced: 01 Jul 2026