Figure 8
Confusion matrices for symmetry prediction using RF-based models trained on all databases (top-1 accuracy). (a) Point groups of the compounds in AMCSD. (b) Space groups of the compounds in AMCSD (for visualization clarity the RF-based models were trained only on the top 46 space groups of each database). Additional details can be found in Figs. F3 and F4 in the SI. |