Navigating the Maize: cyclic and conditional computational graphs for molecular simulation
Journal article, 2024
Author
Thomas Lohr
AstraZeneca AB
Michele Assante
University of Cambridge
AstraZeneca AB
Michael Dodds
AstraZeneca AB
University of St Andrews
Lili Cao
AstraZeneca AB
Mikhail Kabeshov
AstraZeneca AB
Jon-Paul Janet
AstraZeneca AB
Marco Klaehn
AstraZeneca AB
Ola Engkvist
Chalmers, Computer Science and Engineering (Chalmers)
Digital Discovery
2635098X (eISSN)
Vol. 3 12 2551-2559Subject Categories
Computer Science
DOI
10.1039/d4dd00288a