Figure shows the predicted free energy change between the reference state and each microstate, on average, for all transitions across all predictions. Molecules are labeled with their compound class as a reference. Predictions disagree widely for some transitions, like those from the reference state to SM26_micro002, SM28_micro001, SM43_micro003, SM46_micro003, while predictions for other transitions such as that from the reference microstate to SM26_micro004 are in agreement (as shown by small error bars in Figure ).