New York, NY

shzhang

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@zetayue

Researcher | CS PhD | Interested in the Representation Learning on Graphs and Molecules

MXMNet. Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures" (NeurIPS 2020 Workshop)

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CPA. Source code for "Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation" (IJCAI 2020)

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ProMoNet. Source code for "Sequence-based Drug-Target Complex Pre-training Enhances Protein-Ligand Binding Process Predictions Tackling Crypticity"

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DiffusionErrorAnalyzer. Python class to calculate ionic conductivity and its statistical error with AIMD data input

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4
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