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The Journal of Physical Chemistry Letters|January 3, 2024
Reinforcement Learning for Traversing Chemical Structure Space: Optimizing Transition States and Minimum Energy Paths of MoleculesRhyan Barrett, Julia WestermayrNature Computational Science|January 4, 2024
High-throughput property-driven generative design of functional organic moleculesJulia Westermayr, Joe Gilkes, Rhyan Barrett, et al.Pageof 1