Representing Molecules as Random Walks Over Interpretable Grammars

no code implementations • 13 Mar 2024 • Michael Sun, Minghao Guo, Weize Yuan, Veronika Thost, Crystal Elaine Owens, Aristotle Franklin Grosz, Sharvaa Selvan, Katelyn Zhou, Hassan Mohiuddin, Benjamin J Pedretti, Zachary P Smith, Jie Chen, Wojciech Matusik

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology.

Property Prediction