The framework's architecture complements the full workflow for force field development, from the curation of the testing and training sets from open data sources, evaluating the optimization objective function (and its gradient with respect to force field parameters) through integration with optimization frameworks such as ForceBalance , and the assessment of force fields against large data sets of even more complex physical properties including solvation free energies and host-guest binding affinities (Figure ). In order to accommodate such a workflow, the framework was designed so as to: