2 papers
q-bio.BM2024
Generative Active Learning for the Search of Small-molecule Protein Binders
Maksym Korablyov, Cheng-Hao Liu, Moksh Jain +31
Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a si…
cs.LG2024
SE(3)-Stochastic Flow Matching for Protein Backbone Generation
Avishek Joey Bose, Tara Akhound-Sadegh, Guillaume Huguet +7
The computational design of novel protein structures has the potential to impact numerous scientific disciplines greatly. Toward this goal, we introduce FoldFlow, a series of novel…