ResearchTasksAtomization energy predictionAtomization energy predictionFollowBenchmarksDatasetSOTA methodSortMost resultsRecently updatedMost papersApplyDatasetSOTA methodMetricTrendResultsLast updatedQM7 (10-fold cross validation)MLANet3.07MAE27Mar 25, 2026QM9 original (test)WK4.3MAE (meV)11Feb 26, 2026QM9 full (test)Wigner Kernels4.3MAE7Feb 26, 2026