Publications

624 results for Accelerated Discovery

BOAD: Discovering Hierarchical Software Engineering Agents via Bandit Optimization
- - Iris Xu
  - Guangtao Zeng
  - et al.
- 2026
- ICLR 2026
Poster
Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2026
- ICLR 2026
Workshop paper
Learn more about our Accelerated Discovery work
Modeling Chimeric Antigen Receptor Response at the Single-Cell Level with Conditional Optimal Transport
- - Alice Driessen
  - Jannis Born
  - et al.
- 2026
- Cell Systems
Paper
Dataset Definition in AI for Chemistry: Insights from Data Science Practitioners in Battery and PFAS Research
- - Juliana Jansen Ferreira
  - Joao Henrique Gallas Brasil
  - et al.
- 2026
- ACS Spring 2026
Conference paper
Using Analogy as Means to AI Explainability
- - Vinicius Segura
  - Juliana Jansen Ferreira
  - et al.
- 2026
- ACS Spring 2026
Conference paper
Tool-Augmented AI for Drug Discovery: An Agentic Platform for Integrated Molecule Generation and Screening
- - Leili Zhang
  - Bc Kwon
  - et al.
- 2026
- ACS Spring 2026
Talk
Principled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- - Partha Suryanarayanan
  - Bc Kwon
  - et al.
- 2026
- ACS Spring 2026
Talk
Agentic AI for screening antibody:antigen binding affinity
- - Simona Rabinovici-Cohen
  - Jeff Weber
  - et al.
- 2026
- ACS Spring 2026
Poster
Assessing Chemical Foundation Models for Glycan Representation and Tasks
- - Manuel Ravasqueira
  - Joao Bettencourt-Silva
  - et al.
- 2026
- ACS Spring 2026
Poster
Cross-modal fusion of protein language models, large language models, and 3D structural models for unified protein representations
- - Ben Shapira
  - Michal Ozery-Flato
  - et al.
- 2026
- ACS Spring 2026
Poster