most citedCarbohydrate NMR chemical shift predictions using E(3) equivariant graph neural networks

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cs.LG2023★ 1 cited

Carbohydrate NMR chemical shift predictions using E(3) equivariant graph neural networks

Maria Bånkestad, Keven M. Dorst, Göran Widmalm +1

Carbohydrates, vital components of biological systems, are well-known for their structural diversity. Nuclear Magnetic Resonance (NMR) spectroscopy plays a crucial role in understa…