Generative Active Learning for the Search of Small-molecule Protein Binders.
Maksym KorablyovCheng-Hao LiuMoksh JainAlmer M. van der SlootEric JolicoeurEdward RuedigerAndrei Cristian NicaEmmanuel BengioKostiantyn LapchevskyiDaniel St-CyrDoris Alexandra SchuetzVictor Ion ButoiJarrid Rector-BrooksSimon BlackburnLeo FengHadi NekoeiSai Krishna GottipatiPriyesh VijayanPrateek GuptaLadislav RampásekSasikanth AvanchaPierre-Luc BaconWilliam L. HamiltonBrooks PaigeSanchit MisraStanislaw Kamil JastrzebskiBharat KaulDoina PrecupJosé Miguel Hernández-LobatoMarwin H. S. SeglerMichael M. BronsteinAnne MarinierMike TyersYoshua BengioPublished in: CoRR (2024)