In Table we show the Average Minimum RMSD (AMR) and Coverage (COV) of our method in precision and recall modes, see Appendix 9.11 for precise definitions. We report remarkable agreement of SMA-MD with RE, clearly outperforming the trainingset-like MD trajectories (MD (15 min)). Because the runtime of SMA-MD (using a single GPU) is longer (20 min) than that of the training set simulations (15 min), see Appendix 9.12 for details, we further challenged SMA-MD by comparing to longer MD simulations of comparable runtime. We observe that SMA-MD still clearly outperforms these longer simulations (MD (20 min)) by recovering 6 % more conformers in the ground-truth ensemble. In Figure we compare the Coverage for different threshold values. Here we observe that SMA-MD achieves the best Coverage among the three methods independently of the choice of threshold and the improvement margin becomes greater as we reduce the threshold.