After refitting, the new force field was benchmarked against several test sets designed to assess parameter quality and transferability. These datasets provided a holistic benchmark for the force field, including QM geometries for drug-like molecules to assess valence parameter quality, solvation and transfer free energies for small organic molecules to assess nonbonded parameter quality, and protein-ligand binding free energies to ensure the refit did not adversely affect performance on this critical measure. These benchmark datasets are sourced from high-quality public databases like FreeSolv, QCArchive, and the NIST ThermoML archive, and are available at .