ChemTorch: A Deep Learning Framework for Benchmarking and Developing Chemical Reaction Property Prediction Models. - Jasper De Landsheere; Anton Zamyatin; Johannes Karwounopoulos; Esther Heid (J. Chem. Inf. Model., 2026)

Is BatchEnsemble a Single Model? On Calibration and Diversity of Efficient Ensembles. - Anton Zamyatin; Patrick Indri; Sagar Malhotra; Thomas Gärtner 001 (CoRR, 2026)