Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets

9 February 2019

Papers citing "Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets"

8 / 8 papers shown

Title
Machine Learning of Slow Collective Variables and Enhanced Sampling via Spatial Techniques Tuğçe Gökdemir Jakub Rydzewski 31 1 0 31 Dec 2024
Learning Geometrically Disentangled Representations of Protein Folding Simulations N. Joseph Tatro Payel Das Pin-Yu Chen Vijil Chenthamarakshan Rongjie Lai AI4CE 27 0 0 20 May 2022
Characterizing metastable states with the help of machine learning P. Novelli L. Bonati Massimiliano Pontil Michele Parrinello 16 22 0 15 Apr 2022
Chasing Collective Variables using Autoencoders and biased trajectories Zineb Belkacemi P. Gkeka T. Lelièvre G. Stoltz AI4CE 6 60 0 22 Apr 2021
Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders Yasemin Bozkurt Varolgunes T. Bereau J. F. Rudzinski DRL 12 42 0 22 Dec 2019
Capabilities and Limitations of Time-lagged Autoencoders for Slow Mode Discovery in Dynamical Systems Wei Chen Hythem Sidky Andrew L. Ferguson 25 36 0 02 Jun 2019
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C. Wehmeyer Frank Noé AI4CE BDL 111 356 0 30 Oct 2017
Estimation and uncertainty of reversible Markov models Benjamin Trendelkamp-Schroer Hao Wu Fabian Paul Frank Noé 76 129 0 19 Jul 2015