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Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation.
Thomas Löhr
Michael Dodds
Lili Cao
Mikhail Kabeshov
Michele Assante
Jon Paul Janet
Marco Klähn
Ola Engkvist
Published in:
CoRR (2024)
Keyphrases
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simulation model
simulation study
numerical simulations
molecular dynamics
graph matching
graph theory
graph mining
mathematical model
pattern mining
mathematical programming
graph model
graph representation
molecular dynamics simulations