Graph networks for molecular design

Rocío Mercado, Tobias Rastemo, Edvard Lindelöf, Günter Klambauer, Ola Engkvist, Hongming Chen, Esben Jannik Bjerrum. Graph networks for molecular design. Mach. Learn. Sci. Technol., 2(2):25023, 2021. [doi]

Abstract

Abstract is missing.