GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules

12 January 2022

Papers citing "GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules"

3 / 3 papers shown

Title
Coarse Graining Molecular Dynamics with Graph Neural Networks B. Husic N. Charron Dominik Lemm Jiang Wang Adria Pérez ... Yaoyi Chen Simon Olsson Gianni de Fabritiis Frank Noé C. Clementi AI4CE 29 156 0 22 Jul 2020
Geometric deep learning: going beyond Euclidean data M. Bronstein Joan Bruna Yann LeCun Arthur Szlam P. Vandergheynst GNN 231 3,202 0 24 Nov 2016
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 99 126 0 20 Oct 2016