Variational Selection of Features for Molecular Kinetics

Variational Selection of Features for Molecular Kinetics

28 November 2018

Martin K. Scherer

Moritz Hoffmann

Frank Noé

Papers citing "Variational Selection of Features for Molecular Kinetics"

6 / 6 papers shown

Title
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules Mahdi Ghorbani Samarjeet Prasad Jeffery B. Klauda B. Brooks GNN 29 30 0 12 Jan 2022
Deeptime: a Python library for machine learning dynamical models from time series data Moritz Hoffmann Martin K. Scherer Tim Hempel Andreas Mardt Brian M. de Silva ... Stefan Klus Hao Wu N. Kutz Steven L. Brunton Frank Noé AI4CE 33 101 0 28 Oct 2021
Machine learning for molecular simulation Frank Noé A. Tkatchenko K. Müller C. Clementi AI4CE 16 642 0 07 Nov 2019
Machine Learning for Molecular Dynamics on Long Timescales Frank Noé AI4CE 23 32 0 18 Dec 2018
Variational Koopman models: slow collective variables and molecular kinetics from short off-equilibrium simulations Hao Wu Feliks Nuske Fabian Paul Stefan Klus P. Koltai Frank Noé 107 126 0 20 Oct 2016
Estimation and uncertainty of reversible Markov models Benjamin Trendelkamp-Schroer Hao Wu Fabian Paul Frank Noé 76 129 0 19 Jul 2015