ResearchBenchmarksMolecular Property Prediction on OLED 100–500 atoms (random)Molecular Property Prediction on OLED 100–500 atoms (random)Follow0.25S1 MAEGoMS_GT0.20680.49840.791.0816Dec 13, 2025Evaluation resultsMethodMethodLinksS1 MAEDelta EST MAEEpsilon HOMO MAEEpsilon LUMO MAEGoMS_GTDecomposition=RECAPDecomposition=RECAP2025.120.250.090.10.12GoMS_MPNNDecomposition=RECAPDecomposition=RECAP2025.120.380.090.130.15FRAGNET2025.120.510.410.550.28OSAN2025.120.550.170.330.28ESANSampling=naiveSampling=naive2025.120.580.220.350.27GIN2025.121.081.570.610.39CGNN2025.121.331.180.740.28