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
Multimodal Transformer models for Structure Elucidation from SpectraMarvin AlbertsAlain Vaucher2024ACS Spring 2024
Using Foundation Models to Promote Digitization and Reproducibility in Scientific ExperimentationAmol ThakkarAndrea Giovanniniet al.2023NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer ModelsMarvin AlbertsFederico Zipoliet al.2023NeurIPS 2023
Unveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention MechanismsOliver SchilterMarvin Albertset al.2023NeurIPS 2023
From Spectra to Structure: Automated structure elucidation for organic chemistryMarvin AlbertsTeodoro Lainoet al.2024DMCCB Basel Symposium 2024
Tools for Synthesis Planning, Automation, and Analytical Data AnalysisMiruna CretuMarvin Albertset al.2023Chimia