Communities
Connect sessions
AI calendar
Organizations
Join Slack
Contact Sales
Search
Open menu
Home
Papers
1902.03336
Cited By
v1
v2 (latest)
Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets
9 February 2019
Wei Chen
Hythem Sidky
Andrew L. Ferguson
Re-assign community
ArXiv (abs)
PDF
HTML
Papers citing
"Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets"
18 / 18 papers shown
Random functions as data compressors for machine learning of molecular processes
Jayashrita Debnath
Gerhard Hummer
71
0
0
07 Sep 2025
Machine Learning of Slow Collective Variables and Enhanced Sampling via Spatial Techniques
Chemical Physics Reviews (CPR), 2024
Tuğçe Gökdemir
Jakub Rydzewski
287
16
0
31 Dec 2024
Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles
Journal of Chemical Theory and Computation (JCTC), 2024
Jakub Rydzewski
136
8
0
10 Sep 2024
Flow Matching for Optimal Reaction Coordinates of Biomolecular System
Journal of Chemical Theory and Computation (JCTC), 2024
Mingyuan Zhang
Zhicheng Zhang
Yong Wang
Hao Wu
244
6
0
30 Aug 2024
Understanding recent deep-learning techniques for identifying collective variables of molecular dynamics
Pamm (PAMM), 2023
Wei Zhang
Christof Schütte
337
6
0
01 Jul 2023
Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction
Journal of Chemical Physics (JCP), 2023
J. Strahan
Spencer C. Guo
Chatipat Lorpaiboon
Aaron R Dinner
Jonathan Weare
390
15
0
22 Mar 2023
Learning Geometrically Disentangled Representations of Protein Folding Simulations
N. Joseph Tatro
Payel Das
Pin-Yu Chen
Vijil Chenthamarakshan
Rongjie Lai
AI4CE
186
0
0
20 May 2022
Staying the course: Locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds
Journal of Mathematical Chemistry (J. Math. Chem.), 2022
J. M. Bello-Rivas
Anastasia S. Georgiou
J. Guckenheimer
Ioannis G. Kevrekidis
280
3
0
21 Apr 2022
Characterizing metastable states with the help of machine learning
Journal of Chemical Theory and Computation (JCTC), 2022
P. Novelli
L. Bonati
Massimiliano Pontil
Michele Parrinello
179
23
0
15 Apr 2022
MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data
Soft Matter (SM), 2022
Ryo Kawada
Katsuhiro Endo
Daisuke Yuhara
K. Yasuoka
AI4CE
155
4
0
02 Feb 2022
Chasing Collective Variables using Autoencoders and biased trajectories
Journal of Chemical Theory and Computation (JCTC), 2021
Zineb Belkacemi
P. Gkeka
T. Lelièvre
G. Stoltz
AI4CE
282
74
0
22 Apr 2021
Accelerated Simulations of Molecular Systems through Learning of their Effective Dynamics
Pantelis R. Vlachas
Julija Zavadlav
M. Praprotnik
Petros Koumoutsakos
AI4CE
219
4
0
17 Feb 2021
Machine Learning Force Fields
Oliver T. Unke
Stefan Chmiela
H. E. Sauceda
M. Gastegger
I. Poltavsky
Kristof T. Schütt
A. Tkatchenko
K. Müller
AI4CE
409
1,281
0
14 Oct 2020
Molecular Latent Space Simulators
Hythem Sidky
Wei Chen
Andrew L. Ferguson
AI4CE
173
41
0
01 Jul 2020
Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders
Yasemin Bozkurt Varolgunes
T. Bereau
J. F. Rudzinski
DRL
166
49
0
22 Dec 2019
Machine learning for protein folding and dynamics
Current Opinion in Structural Biology (Curr. Opin. Struct. Biol.), 2019
Frank Noé
Gianni De Fabritiis
C. Clementi
AI4CE
261
150
0
22 Nov 2019
High-resolution Markov state models for the dynamics of Trp-cage miniprotein constructed over slow folding modes identified by state-free reversible VAMPnets
Journal of Physical Chemistry B (J. Phys. Chem. B), 2019
Hythem Sidky
Wei Chen
Andrew L. Ferguson
141
62
0
12 Jun 2019
Capabilities and Limitations of Time-lagged Autoencoders for Slow Mode Discovery in Dynamical Systems
Journal of Chemical Physics (JCP), 2019
Wei Chen
Hythem Sidky
Andrew L. Ferguson
238
37
0
02 Jun 2019
1
Page 1 of 1
