The coarse-grained SOM model is based on the VSOMM2 . This Modeler creates HS structures, building them from basic chemical fragments (see Figure in the supporting information). The fragment combination is dependent on input parameters, such as the amount of certain functional groups that should occur in the system, or the Carbon/Nitrogen (C/N) ratio. The coarse-graining approach follows this method, by first coarse-graining the fragment molecules and then assembling them into a macromolecular structure.