Workshop paperReprogramming Language Models for Molecular Representation LearningRia Vinod, Pin-Yu Chen, et al.NeurIPS 2020
Conference paperBoundary Exploration for Bayesian Optimization With Unknown Physical ConstraintsYunsheng Tian, Ane Zuniga, et al.ICML 2024
PaperInterplay between drying and stability of a TIM barrel protein: A combined simulation-experimental studyPayel Das, Divya Kapoor, et al.JACS
PaperOptimizing molecules using efficient queries from property evaluationsSamuel C. Hoffman, Vijil Chenthamarakshan, et al.Nature Machine Intelligence