Data for: General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies

This dataset contains the optimization and simulation data associated with the paper "General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies". Code Availability The code used to generate and analyze this data is hosted on GitHub:https://github.com/Livia33g/Inverse-Design-Optimization Abstract Designing heterogeneous, self-assembling systems is a central challenge in soft matter and biology. We present a framework that uses gradient-based optimization to invert an analytical yield calculation, tuning systems toward target equilibrium yields. We design systems ranging from simple dimers to temperature-controlled shells to polymerizing systems, achieving precise control of self- and non-self-limiting assemblies. By operating directly on closed-form calculations, our framework bypasses trajectory-based instabilities and enables efficient optimization in otherwise challenging regimes.