no code implementations • 5 Oct 2021 • Jie Li, Oufan Zhang, Yingze Wang, Kunyang Sun, Xingyi Guan, Dorian Bagni, Mojtaba Haghighatlari, Fiona L. Kearns, Conor Parks, Rommie E. Amaro, Teresa Head-Gordon
The viability of a new drug molecule is a time and resource intensive task that makes computer-aided assessments a vital approach to rapid drug discovery.