no code implementations • 25 Nov 2022 • Hatem Helal, Jesun Firoz, Jenna Bilbrey, Mario Michael Krell, Tom Murray, Ang Li, Sotiris Xantheas, Sutanay Choudhury
Molecular property calculations are the bedrock of chemical physics.
1 code implementation • 7 May 2021 • Jenna Bilbrey, Logan Ward, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman
We examine a pair of graph generative models for the therapeutic design of novel drug candidates targeting SARS-CoV-2 viral proteins.