ResearchTasksDFT energy predictionDFT energy predictionFollowBenchmarksDatasetSOTA methodSortMost resultsRecently updatedMost papersApplyDatasetSOTA methodMetricTrendResultsLast updatedAgAuSchNet0.335MAE (Config, eV)17Feb 26, 2026KIM SiSchNet0.372MAE (Config Level)17Feb 26, 2026ANI-AlSchNet0.082MAE (Config, eV)13Feb 26, 2026