The final geometry will be close to the true minimum, but post-optimization at the target QC level has to be applied to reach the same geometry. For example, we performed configurational sampling and took one SA 7 AM 7 structure optimized at GFN1-xTB. Subsequent optimization of this molecule at B97-3c (within ORCA) lasted 10 CPU-hours and required ∼80 iteration steps. The RMSD of the initial and final structure is 0.28 Å. Performing optimization (within ASE) with the trained NN takes 1 min per 100 iterations and approx.