Embedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogates
- Tim Rumbell
- Shruti Murarka
- et al.
- 2026
- ACS Spring 2026
Poster
Publications
638 results for Accelerated Discovery
Assessing Chemical Foundation Models for Glycan Representation and Tasks
- Manuel Ravasqueira
- Joao Bettencourt-Silva
- et al.
- 2026
- ACS Spring 2026
PosterCross-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
PosterDesigning Agentic AI Systems for Human-Guided Scientific Discovery in Computational Drug Discovery
- Bc Kwon
- Leili Zhang
- et al.
- 2026
- ACS Spring 2026
PosterOpen and Sustainable AI: challenges, opportunities and the road ahead in the life sciences
- Gavin Farell
- Eleni Adamidi
- et al.
- 2026
- Nature Methods
PaperHigh-throughput search of topological materials for interconnects using first-principles transport calculations and machine learning
- Kai Wagoner-oshima
- Michelle Guo
- et al.
- 2026
- APS Global Physics Summit 2026
TalkGP-MOLFORMER-SIM: Test Time Molecular Optimization through Contextual Similarity Guidance
- Jiri Navratil
- Jerret Ross
- et al.
- 2026
- AAAI 2026
Conference paperTowards a Foundation Model for Partial Differential Equations Across Physics Domains
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2026
- AAAI 2026
Workshop paperA General Pipeline for LLM Finetune Ingestion of Scientific Tabular Data
- Victor Yukio Shirasuna
- Enzo Oliveira
- et al.
- 2026
- AAAI 2026
Workshop paperSTAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular Generation
- Bc Kwon
- Ben Shapira
- et al.
- 2026
- AAAI 2026
Workshop paper