QTAIM calculations build on top of quantum chemical density calculations. Our package can intake any format compatible with Multiwfn 27 or Critic2 and thus could use a number of DFT codes such as NWChem, Q-Chem, or Gaussian. We use ORCA as it is open-source, free under academic licenses, and implements a wide range of basis sets, and levels of theory. For now, we have implemented options files that allow the user to write a wide-range of custom ORCA input files including relativistic corrections, individual atomic basis sets, and parallelization options. Generalization to other quantum chemical packages requires new methods for writing input files but otherwise can fit into our ecosystem for high-throughput QTAIM and molecular/reaction graph neural networks. We chose differing levels of theory for our dataset construction considering the relative expense of computed properties in each dataset -we wanted to ensure that the cost of DFT and subsequent QTAIM calculations did not rival the expense of computed properties. We outline the different levels of theory below.