3 papers
cs.LG2025
Zero-shot protein stability prediction by inverse folding models: a free energy interpretation
Jes Frellsen, Maher M. Kassem, Tone Bengtsen +4
Inverse folding models have proven to be highly effective zero-shot predictors of protein stability. Despite this success, the link between the amino acid preferences of an inverse…
cs.LG2024
A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences
Miguel González-Duque, Richard Michael, Simon Bartels +3
Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficie…
q-bio.BM2024
Kermut: Composite kernel regression for protein variant effects
Peter Mørch Groth, Mads Herbert Kerrn, Lars Olsen +2
Reliable prediction of protein variant effects is crucial for both protein optimization and for advancing biological understanding. For practical use in protein engineering, it is…