This repository contains Jupyter notebooks describing application of the non-parametric framworks (NPNE) to analyse non-equilbrium simulations, described in paper Non-Parametric Analysis of Non-Equilibrium Simulations by Sergei V. Krivov. In particular, it contains
- npnelib.py - python module with NPNE functions
- 50d_models_system_committor - application of NPNE approaches to 50-dimensional model system
- 2f4k_commitor - application of NPNE approaches to analyze a realistic protein folding trajectory.