The dataset is organized as follows: the data for each of the three target structures is contained within a directory with the structure name (e.g., kagome, pyrocholore and snub-square). Within each structure directory, data obtained from alchemical and self-assembly simulations are separated into alchem and self-assembly directories respectively. An additional suboptimal-self-assembly directory is only present for the snub-square structure and contains the data for the pattern registration analysis discussed in the SI. For a detailed description of each file contained within each directory, please refer to the README file.
Rivera-Rivera, LY, Moore, TC & SC Glotzer. Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy. Soft Matter, 2023, 19, 2726-2736 doi: 10.1039/d2sm01593e
