3 papers
cs.LG2024
One protein is all you need
Anton Bushuiev, Roman Bushuiev, Olga Pimenova +9
Generalization beyond training data remains a central challenge in machine learning for biology. A common way to enhance generalization is self-supervised pre-training on large dat…
q-bio.QM2024
MassSpecGym: A benchmark for the discovery and identification of molecules
Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge +27
The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is…
q-bio.BM2023
Improving Protein Optimization with Smoothed Fitness Landscapes
Andrew Kirjner, Jason Yim, Raman Samusevich +4
The ability to engineer novel proteins with higher fitness for a desired property would be revolutionary for biotechnology and medicine. Modeling the combinatorially large space of…