This dataset accompanies the manuscript by Reum N. Scott, Phillip J. Milner, and Julia Dshemuchadse, "A Coarse-Grained Simulation Toolkit for Metal–Organic Framework Synthesis", in publication (2025). In this study, the self-assembly of different MOF structures is simulated from the MOFs' components (metal nodes and organic linkers), which were constructed in a coarse-grained model from isotropic beads, reflecting the symmetries of the molecular components. In addition to simulating the spontaneous growth of 34 different MOF nets (with linear, trigonal planar, tetragonal planar, as well as tetrahedral linkers), the effects of isoreticular relationships (linker length), competing interactions in layered MOFs, and the assembly of nets with additional degrees of freedom are demonstrated. This dataset includes representative simulation trajectories (in .gsd file format) documenting the growth of each of the MOF nets. A README.txt file is included to assist with parsing the data. This material is based upon work supported by the National Science Foundation MPS-Ascend Postdoctoral Research Fellowship under Grant No. DMR-2139237. This work was supported by the donors of ACS Petroleum Research Fund under Grant 66310-DNI10. P.J.M. acknowledges support from the National Science Foundation (CBET-2047627).