Global generation To further validate the ability of O 2 -GEN to create novel OOMs in real-world scenarios, we selected the fused-ring core of the star non-fullerene acceptor Y6 in the OPV field as the template molecule, and generated 600 brand-new molecules. Figure .a shows representative molecules in the generated dataset. Details of the statistical distribution of the structural data (number of atoms in the molecule, types of heavy atoms, number of rings...) are presented in Supplementary Figure .