1 citations · 1 across the 2 of their papers we have counts for
3 papers
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…
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.…
Variational Monte Carlo on a Budget -- Fine-tuning pre-trained Neural Wavefunctions
Michael Scherbela, Leon Gerard, Philipp Grohs
Obtaining accurate solutions to the Schrödinger equation is the key challenge in computational quantum chemistry. Deep-learning-based Variational Monte Carlo (DL-VMC) has recently…