This is a private project. You must be a member to view its contents.

Provide a set of tools and example datasets for the optimization of data collection in nonequilibrium pulling experiments and alchemical free energy calculations.

This project provides tools (and illustrative datasets and analysis) to optimize the collection of experimental data in single-molecule experiments and computer simulations at different thermodynamic parameters, where the optimal data collection parameters are determined by estimating the thermodynamic metric tensor from a pilot experiment.