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2107.05007
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Generating stable molecules using imitation and reinforcement learning
11 July 2021
S. A. Meldgaard
Jonas Köhler
H. L. Mortensen
Mads-Peter V. Christiansen
Frank Noé
B. Hammer
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Papers citing
"Generating stable molecules using imitation and reinforcement learning"
5 / 5 papers shown
Title
Molecular relaxation by reverse diffusion with time step prediction
Khaled Kahouli
Stefaan S. P. Hessmann
Klaus-Robert Muller
Shinichi Nakajima
Stefan Gugler
Niklas W. A. Gebauer
DiffM
44
5
0
16 Apr 2024
Distributed Reinforcement Learning for Molecular Design: Antioxidant case
Huanyi Qin
D. Akhiyarov
Sophie Loehle
Kenneth Chiu
Mauricio Araya-Polo
36
0
0
03 Dec 2023
Cluster Generation via Deep Energy-Based Model
A. Y. Artsukevich
S. Lepeshkin
29
0
0
17 Jun 2022
Top-N: Equivariant set and graph generation without exchangeability
Clément Vignac
P. Frossard
BDL
71
34
0
05 Oct 2021
Inverse design of 3d molecular structures with conditional generative neural networks
Niklas W. A. Gebauer
M. Gastegger
Stefaan S. P. Hessmann
Klaus-Robert Muller
Kristof T. Schütt
AI4CE
192
166
0
10 Sep 2021
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