2 papers
cs.LG2026
BOAT: Navigating the Sea of In Silico Predictors for Antibody Design via Multi-Objective Bayesian Optimization
Jackie Rao, Ferran Gonzalez Hernandez, Leon Gerard +1
Antibody lead optimization is inherently a multi-objective challenge in drug discovery. Achieving a balance between different drug-like properties is crucial for the development of…
physics.comp-ph2024
Transferable Neural Wavefunctions for Solids
Leon Gerard, Michael Scherbela, Halvard Sutterud +2
Deep-Learning-based Variational Monte Carlo (DL-VMC) has recently emerged as a highly accurate approach for finding approximate solutions to the many-electron Schrödinger equation…