Predicting Antibody Relative Binding Free Energies with MD-Derived Graph Neural Networks
- Kevin Cheng
- Jeff Weber
- 2026
- ACS Spring 2026
Talk
Publications
26925 results for Science
Principled Latent-Variable Modeling Enables Efficient Conditional Molecular Design
- Partha Suryanarayanan
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
TalkTool-Augmented AI for Drug Discovery: An Agentic Platform for Integrated Molecule Generation and Screening
- Leili Zhang
- Bc Kwon
- et al.
- 2026
- ACS Spring 2026
TalkAssessing Chemical Foundation Models for Glycan Representation and Tasks
- Manuel Ravasqueira
- Joao Bettencourt-Silva
- et al.
- 2026
- ACS Spring 2026
PosterEmbedding 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
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
PosterSafer materials advisor: Identification and characterization of materials of concerns
- Viviane T. Silva
- Kristin Schmidt
- 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
PaperElectronic and magnetic properties of lanthanide atomic chains and nanostructures assembled atom-by-atom
- Christopher Lutz
- Gregory Czap
- et al.
- 2026
- APS Global Physics Summit 2026
Conference paper