ResearchBenchmarksEquilibrium State Prediction on QM9 (val)Follow0.092D-MAEGDB0.081360.153180.2250.29682Oct 31, 2024Evaluation ResultsMethodMethodLinksD-MAED-RMSEC-RMSDGDB2024.100.0920.2180.143GTMGC2024.100.2620.4680.362GPS2024.100.3260.6440.662GATv22024.100.3390.6630.661RDKit ETKDG2024.100.3550.6210.691GINE2024.100.3570.6730.685RDKit DG2024.100.3580.6160.722