The geometries of the test systems were taken from the paper defining the S22 dataset . Like for the original work on the S22-dataset and its revised version , deformation energies are neglected, monomer structures are kept identical in the dimer configuration and no monomer relaxation is carried out. To save on computational resources, we opted to exclude the two adenine-thymine dimers from our test set, resulting in a set of 20 structures that we refer to as S22*.