Property Prediction

publications and benchmarks for molecular property prediction

Reduction Potential Benchmark

Benchmark

Method	R²	Spearman's ρ	MAE	RMSE
OMol25's eSEN Conserving Small	0.478	0.822	0.506	1.488
UMA Small	0.879	0.944	0.261	0.596
UMA Medium	0.596	0.873	0.408	1.216

This benchmark is from Neugebauer et al. (2020). OMol25's eSEN Conserving Small results are from VanZanten and Wagen (2025). UMA Small results are from VanZanten and Wagen (2025). UMA Medium results are from VanZanten and Wagen (2025).

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