"molecular design" Papers
3 papers found
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
Leo Klarner, Tim G. J. Rudner, Garrett Morris et al.
ICML 2024poster
Joint Composite Latent Space Bayesian Optimization
Natalie Maus, Zhiyuan Jerry Lin, Maximilian Balandat et al.
ICML 2024poster
LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery
Pingchuan Ma, Johnson Tsun-Hsuan Wang, Minghao Guo et al.
ICML 2024poster