Table 2 The training and validation errors of VASP MLIP-multi and MACE MLIP-committee for the naphthalene molecular crystal, based on training data at 80 K, 120 K, 150 K, 220 K and 295 K, accounting for thermal lattice expansion on each dataset

From: Accurate machine learning interatomic potentials for polyacene molecular crystals: application to single molecule host-guest systems