The final descriptor is created by concatenating all fragments based on A, B, n, l and appending the one-hot encoded atom type of the center atom. In addition to the above-mentioned parameters, R cut and n max , the descriptor is controlled by the parameter N neighbour , which sets the maximum number of neighbour atoms included in the descriptor. Usually, N neighbour is set to large enough values so that all atoms inside the sphere defined by R cut are considered. However, in our tests we found that we require relatively large R cut values to avoid fragmentation of our predictions in non-periodic cases where atom clusters can be separated by more than R cut distance. The constraint on the N neighbour value could, on the other hand, be relaxed, thereby in effect setting an adaptive cutoff radius. These descriptors are more short-sighted in dense environments, while in sparser regions they include information up to the maximum R cut distance, with constant low computational cost.