Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- NeurIPS 2024
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11 results for Marvin Alberts
Conformal Autoregressive Generation: Beam Search with Coverage Guarantees
- Nicolas Deutschmann
- Marvin Alberts
- et al.
- 2024
- AAAI 2024
Automatic structure elucidation from IR spectra
- 2023
- ACS Fall 2023
A Multimodal Transformer Model for comprehensive Structure Elucidation
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- ACS Fall 2024
Multimodal Transformer models for Structure Elucidation from Spectra
- Marvin Alberts
- Alain Vaucher
- 2024
- ACS Spring 2024
Automatic structure elucidation from NMR spectra
- 2023
- ACS Fall 2023
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
Learning the Language of NMR: Structure Elucidation from NMR spectra using Transformer Models
- 2023
- NeurIPS 2023
Unveiling the Secrets of 1H-NMR Spectroscopy: A Novel Approach Utilizing Attention Mechanisms
- Oliver Schilter
- Marvin Alberts
- et al.
- 2023
- NeurIPS 2023
From Spectra to Structure: Automated structure elucidation for organic chemistry
- 2024
- DMCCB Basel Symposium 2024