We compared LIGYSIS to training and test methods used by the methods surveyed in this work: #scPDB, #bindingMOAD, #CHEN11, #PDBbind, #SC6K, #HOLO4K and #COACH420 and #JOINED.

#LIGYSIS (NI) has the highest ligand diversity across datasets.

#PDBbind is diverse and #SC6K is dominated by ATP.