Given the great importance of organometallic complexes in both medicine and industrial applications, much attention has been paid to the design of new organometallic complexes with desirable properties. However, current methods simply extract the already available ligands from the Cambridge Structural Database (CSD) and then combine the ligands with the metal to generate new complexes. This limits the investigation of novel ligand domains which further restricts the discovery of novel organometallic complexes since once the ensemble of ligands is determined, the corresponding number of complexes is also determined. In addition, in this workflow, much work, like ligand curation and combination, still needs human involvement and intuition, which also slows down the entire process.