187 citations · 210 across the 4 of their papers we have counts for
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physics.chem-ph2018★ 8 cited
Note: Variational Encoding of Protein Dynamics Benefits from Maximizing Latent Autocorrelation
Hannah K. Wayment-Steele, Vijay S. Pande
As deep Variational Auto-Encoder (VAE) frameworks become more widely used for modeling biomolecular simulation data, we emphasize the capability of the VAE architecture to concurre…
stat.ML2018
Transferable neural networks for enhanced sampling of protein dynamics
Mohammad M. Sultan, Hannah K. Wayment-Steele, Vijay S. Pande
Variational auto-encoder frameworks have demonstrated success in reducing complex nonlinear dynamics in molecular simulation to a single non-linear embedding. In this work, we illu…