Recently, we have published a first of its kind dataset of GW +BSE calculations for 101 molecular crystals of polycyclic aromatic hydrocarbons (PAHs) with up to ∼500 atoms in the unit cell, known as PAH101. We have chosen to focus on PAHs because they are the fundamental building blocks of materials for organic electronics. Figure ,b shows the size distribution of the molecules and the unit cells in the PAH101 set. The data records contain the GW +BSE singlet and triplet excitation energies, whose distributions are shown in Figure ,d as well as the GW fundamental band gaps. From these quantities we may also calculate the singlet-triplet gap and the singlet exciton binding energy, whose distributions are shown in Figure .