Learning the committor without collective variables

Nature Computational Science 2026

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Authors: Sergio Contreras Arredondo, Chenyu Tang, Radu A. Talmazan, Alberto Megías, Cheng Giuseppe Chen, Christophe Chipot

DOI: 10.1038/s43588-026-00958-2

Cited by: 5

References: 43

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Graph Neural Networks Computational Drug Discovery Methods

References 43