20 citations · 58 across the 10 of their papers we have counts for
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physics.chem-ph2024★ 10 cited
RGFN: Synthesizable Molecular Generation Using GFlowNets
Michał Koziarski, Andrei Rekesh, Dmytro Shevchuk +6
Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However,…
q-bio.BM2024★ 5 cited
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…