Search Results for author: Zizhang Chen

Found 2 papers, 0 papers with code

GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks

no code implementations28 Nov 2023 Zizhang Chen, Ryan Paul Badman, Lachele Foley, Robert Woods, Pengyu Hong

This under-exploration can be primarily attributed to the limited availability of comprehensive and well-curated carbohydrate-specific datasets and a lack of Machine learning (ML) pipelines specifically tailored to meet the unique problems presented by carbohydrate data.

molecular representation Property Prediction +1

Characterizing the Influence of Graph Elements

no code implementations14 Oct 2022 Zizhang Chen, Peizhao Li, Hongfu Liu, Pengyu Hong

To fill this gap, we started with the simple graph convolution (SGC) model that operates on an attributed graph and formulated an influence function to approximate the changes in model parameters when a node or an edge is removed from an attributed graph.

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