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2404.16911
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HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations
25 April 2024
Daniele Angioletti
S. Raniolo
V. Limongelli
Re-assign community
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Papers citing
"HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations"
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Title
Directional Message Passing on Molecular Graphs via Synthetic Coordinates
Johannes Klicpera
Chandan Yeshwanth
Stephan Günnemann
42
35
0
08 Nov 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials
Simon L. Batzner
Albert Musaelian
Lixin Sun
Mario Geiger
J. Mailoa
M. Kornbluth
N. Molinari
Tess E. Smidt
Boris Kozinsky
203
1,238
0
08 Jan 2021
1