Open Access Article
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Correction: Graph neural network based coarse-grained mapping prediction
Zhiheng
Li
a,
Geemi P.
Wellawatte
b,
Maghesree
Chakraborty
c,
Heta A.
Gandhi
c,
Chenliang
Xu
*a and
Andrew D.
White
*c
aDepartment of Computer Science, University of Rochester, USA
bDepartment of Chemistry, University of Rochester, USA
cDepartment of Chemical Engineering, University of Rochester, USA. E-mail: andrew.white@rochester.edu
First published on 27th August 2021
Abstract
Correction for ‘Graph neural network based coarse-grained mapping prediction’ by Zhiheng Li et al., Chem. Sci., 2020, 11, 9524–9531, DOI: 10.1039/D0SC02458A.
The authors regret that eqn (5) was missing the adjacency matrix term. The correct form of eqn (5) is shown below:
 | (5) |
denotes the adjacency matrix (Ẽij = 1 if atom i and atom j are bonded, otherwise Ẽij = 0).
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
| This journal is © The Royal Society of Chemistry 2021 |