Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for ChemistryMarvin AlbertsOliver Schilteret al.2024NeurIPS 2024
A Multimodal Transformer Model for comprehensive Structure ElucidationMarvin AlbertsOliver Schilteret al.2024ACS Fall 2024
From Spectra to Structure: Automated structure elucidation for organic chemistryMarvin AlbertsTeodoro Lainoet al.2024DMCCB Basel Symposium 2024