Kim (C03) and colleagues have published their works about identifying reaction coordinates of free energy landscape using explainable deep learning in J. Chem. Phys.

K. Okada, T. Kikutsuji, K.-i. Okazaki, T. Mori, K. Kim, N. Matubayasi

Unveiling Interatomic Distances Influencing the Reaction Coordinates in Alanine Dipeptide Isomerization: An Explainable Deep Learning Approach
DOI: 10.1063/5.0203346