Publications

608 results for Accelerated Discovery

Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2025
- SCS Fall Meeting 2025
Automated Structure Elucidation at Human-Level Accuracy via Multimodal Multitask Language Model
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- SCS Fall Meeting 2025
Chemical foundation model-guided design of high ionic conductivity electrolyte formulations
- - Murtaza Zohair
  - Vidushi Sharma
  - et al.
- 2025
- npj Computational Materials
Taming the Wild West of Research Computing: How Policies Saved Us a Thousand Headaches
- - Alessandro Pomponio
- 2025
- Cloud Native Dublin 2025
Scientific research with AI co-participation in chemistry: Prompt engineering and AI ethical challenges in the scientific discovery process
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2025
- ACS Fall 2025
Dynamic Multimodal Fusion for Robust Molecular Representation Learning
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ACS Fall 2025
Spectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation
- - Marvin Alberts
  - Teodoro Laino
- 2025
- ACS Fall 2025
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- ACS Fall 2025
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- - Michal Ozery-Flato
  - Ella Barkan
  - et al.
- 2025
- ACS Fall 2025
A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2025
- ACS Fall 2025