1 citations · 3 across the 3 of their papers we have counts for
3 papers
Solvaformer: an SE(3)-equivariant graph transformer for small molecule solubility prediction
Jonathan Broadbent, Michael Bailey, Mingxuan Li +6
Accurate prediction of small molecule solubility using material-sparing approaches is critical for accelerating synthesis and process optimization, yet experimental measurement is…
Distilling and exploiting quantitative insights from Large Language Models for enhanced Bayesian optimization of chemical reactions
Roshan Patel, Saeed Moayedpour, Louis De Lescure +4
Machine learning and Bayesian optimization (BO) algorithms can significantly accelerate the optimization of chemical reactions. Transfer learning can bolster the effectiveness of B…
Many-Shot In-Context Learning for Molecular Inverse Design
Saeed Moayedpour, Alejandro Corrochano-Navarro, Faryad Sahneh +14
Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The new…