To evaluate the optimization processes for both DeepConf and Auto3D, the G16-equilibrated test molecules in Table were distorted using two different approaches ('distortion 1' and 'distortion 2') to generate 100 off-equilibrium geometries each. In the first approach ("distortion 1"), directly the x,y,z coordinates were randomly changed so as to produce structures that have RMSD to the initial (G16 equilibrated) structure between 0.5 Å (i.e., minimum RMSD) and 2.0 Å (i.e., maximum RMSD). In the second approach, the structures are placed in a box and the box is uniformly scaled between 0.96 Å and 1.10 Å. Thus, the molecule is contracted or expanded uniformly. Finally, the coordinates are randomly scaled between 0.5 and 1.5 to produce off-equilibrium geometries ("distortion 2"). QM optimizations confirmed that all distorted geometries converged to either global or local minima.