Our fitting procedure used to determine model parameters from DFT EDA calculations is summarized in Figure . As we will show, curating a force field to represent a more balanced set of interactions inevitably creates some interdependencies between interactions terms, and the following steps were conducted in order to minimize this reliance. The base on which all other interactions are built upon are the frozen electrostatics energies. In EDA, this interaction energy E elec is defined as the Coulomb interaction between initial fragment densities