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1902.03336
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Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets
9 February 2019
Wei Chen
Hythem Sidky
Andrew L. Ferguson
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Papers citing
"Nonlinear Discovery of Slow Molecular Modes using State-Free Reversible VAMPnets"
12 / 12 papers shown
Title
Learning Geometrically Disentangled Representations of Protein Folding Simulations
N. Joseph Tatro
Payel Das
Pin-Yu Chen
Vijil Chenthamarakshan
Rongjie Lai
AI4CE
57
0
0
20 May 2022
Staying the course: Locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds
J. M. Bello-Rivas
Anastasia S. Georgiou
J. Guckenheimer
Ioannis G. Kevrekidis
24
3
0
21 Apr 2022
Characterizing metastable states with the help of machine learning
P. Novelli
L. Bonati
Massimiliano Pontil
Michele Parrinello
50
23
0
15 Apr 2022
MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data
Ryo Kawada
Katsuhiro Endo
Daisuke Yuhara
K. Yasuoka
AI4CE
51
2
0
02 Feb 2022
Chasing Collective Variables using Autoencoders and biased trajectories
Zineb Belkacemi
P. Gkeka
T. Lelièvre
G. Stoltz
AI4CE
58
63
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
56
3
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
141
940
0
14 Oct 2020
Molecular Latent Space Simulators
Hythem Sidky
Wei Chen
Andrew L. Ferguson
AI4CE
77
34
0
01 Jul 2020
Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders
Yasemin Bozkurt Varolgunes
T. Bereau
J. F. Rudzinski
DRL
58
44
0
22 Dec 2019
Machine learning for protein folding and dynamics
Frank Noé
Gianni De Fabritiis
C. Clementi
AI4CE
121
138
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
Hythem Sidky
Wei Chen
Andrew L. Ferguson
74
55
0
12 Jun 2019
Capabilities and Limitations of Time-lagged Autoencoders for Slow Mode Discovery in Dynamical Systems
Wei Chen
Hythem Sidky
Andrew L. Ferguson
76
36
0
02 Jun 2019
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