2 papers
cs.LG2026
Can Tabular In-Context Learners Generalize to Biomolecular Property Prediction?
Davy Guan, Lu Zhang, Asiri Wijesinghe +7
Predicting biomolecular properties from limited labeled data is a central bottleneck in protein engineering and small-molecule design. As strong pretrained encoders now supply rich…
cs.LG2026
ATOM: A Pretrained Neural Operator for Multitask Molecular Dynamics
Luke Thompson, Davy Guan, Dai Shi +3
Molecular dynamics (MD) simulations underpin modern computational drug discovery, materials science, and biochemistry. Recent machine learning models provide high-fidelity MD predi…