As a first test we explore whether our method can qualitatively reproduce the results of Smith et al. multitask model gives MUE of 0.9 and 1.6 kcal/mol. The ANI-ccx model affords MUEs of 1.9 and 0.9 kcal/mol for these benchmarks while our multitask model evaluated on the ANI-ccx output head gives MUEs of 0.7 and 0.9 kcal/mol. This is surprising in light of the fact that the output heads are only differentiated by a single, linear layer, this will be discussed further in Sec. 4.