Spectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation
- 2025
- ACS Fall 2025
Publications
141 results for Teodoro Laino
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- Marvin Alberts
- Nina Hartrampf
- et al.
- 2025
- ACS Fall 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- Laura Mismetti
- Marvin Alberts
- et al.
- 2025
- ACS Fall 2025
Foundation models for materials discovery – current state and future directions
- Edward Pyzer-knapp
- Matteo Manica
- et al.
- 2025
- npj Computational Materials
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- NeurIPS 2024
Language models can identify enzymatic binding sites in protein sequences
- Yves Gaetan Nana Teukam
- Loïc Kwate Dassi
- et al.
- 2024
- Computational And Structural Biotechnology Journal
Transforming The Hybrid Cloud for Emerging AI Workloads
- Deming Chen
- Alaa Youssef
- et al.
- 2024
- arXiv
Leveraging infrared spectroscopy for automated structure elucidation
- Marvin Alberts
- Teodoro Laino
- et al.
- 2024
- Communications Chemistry
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
- Yuri Alexeev
- Maximilian Amsler
- et al.
- 2024
- Future Generation Computer Systems
Harnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024