2024
Representing Molecules as Random Walks Over Interpretable Grammars
Michael Sun, Minghao Guo, Weize Yuan, Veronika Thost, Crystal Elaine Owens, Aristotle Franklin Grosz +7
ICML 2024spotlight
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. These applications often rely on more complex molecular structures with fewer examples that are carefully des…