property data as prediction tasks and ligand 3D conformations are provided. The QM7 dataset contains molecules with up to seven heavy atoms, eight heavy atoms for the QM8 dataset, and nine for the QM9 dataset. These datasets provide the 3D Cartesian coordinates of the lowest energy conformations, as well as the geometric, energetic, electronic and thermodynamic properties which were all calculated by ab initio density functional theory (DFT) . QM7 contains one property, QM8 con-tains 12 quantum mechanical properties, and we selected homo, lumo and gap properties for the QM9 dataset following previous works . For each dataset, APAN models using 2D graph and using 3D information were built individually and their performance were compared. , N-Gram , PretrainGNN , GROVER ,