Published October 5, 2026 | Version v1
Dataset Open

Supplementary Material for Chebifier 2 (JCI)

Authors/Creators

  • 1. ROR icon Osnabrück University

Description

Supplementary Material for "Flügel et al.: Chebifier 2: An Ensemble for Chemistry" (in submission).

This includes the dataset used (3-STAR and full-ChEBI variants), model checkpoints, hyperparameters and test set predictions for the evaluated aggregation and resolution methods.

Files

chebifier2_jci_supplementary.zip

Files (840.4 MB)

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Additional details

Funding

Deutsche Forschungsgemeinschaft
522907718
Deutsche Forschungsgemeinschaft
456666331