ResearchTasksHOMO-LUMO gap predictionHOMO-LUMO gap predictionFollowBenchmarksDatasetSOTA methodSortMost resultsRecently updatedMost papersApplyDatasetSOTA methodMetricTrendResultsLast updated2D Materials Defect Dataset (10-fold splits)MEGNet(Sparse)5.7MAE42Feb 26, 2026QM9 (5-fold cross-validation)ANI-2x0.804R2 (Full)5Mar 4, 2026Molecule3D (scaffold)SphereNet0.118MAE5Feb 26, 2026Molecule3D (random)SphereNet0.03MAE5Feb 26, 2026