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2311.17134
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GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks
28 November 2023
Zizhang Chen
R. P. Badman
Lachele Foley
Robert Woods
Pengyu Hong
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Papers citing
"GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks"
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Title
Periodic Graph Transformers for Crystal Material Property Prediction
Keqiang Yan
Yi Liu
Yu-Ching Lin
Shuiwang Ji
AI4TS
79
82
0
23 Sep 2022
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
152
1,748
0
02 Mar 2017
1