1 code implementation • 4 Jul 2024 • Marvin Alberts, Oliver Schilter, Federico Zipoli, Nina Hartrampf, Teodoro Laino
Additionally, we provide benchmarks for evaluating single-modality tasks such as structure elucidation, predicting the spectra for a target molecule, and functional group predictions.
no code implementations • 7 Sep 2023 • Nicolas Deutschmann, Marvin Alberts, María Rodríguez Martínez
We introduce two new extensions to the beam search algorithm based on conformal predictions (CP) to produce sets of sequences with theoretical coverage guarantees.
