Elucidating Protein Dynamics through the Optimal Annealing of Variational Autoencoders
Subinoy Adhikari, Jagannath Mondal
This paper introduces an optimal annealing method for VAEs to improve protein conformational dynamics modeling by selecting the optimal β parameter using FVE scores.
Journal of Chemical Theory and Computation · Jun 16, 2025Peer-reviewedBiophysics