The revised MD17 dataset consists of molecular dynamics simulations of small organic molecules, providing intramolecular energy and atomic force data. It was derived from the original MD17 dataset, with 100,000 structures whose energies and forces were recalculated with the PBE functional 48 using tight self-consistent field (SCF) convergence and a dense density functional theory (DFT) integration grid. By incorporating vectorial features into the network, PiNet2-P3 achieves a significantly higher accuracy for both energy and forces compared to the invariant PiNet (Table ). This advantage is even bigger when the models were trained on forces only.