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Debra Audus

3 results in Authors: Debra Audus

Polymer Science

Calculating Pairwise Similarity of Polymer Ensembles via Earth Mover’s Distance

Jiale Shi, Dylan Walsh, Weizhong Zou, Nathan Rebello, Michael Deagen, Katharina Fransen, Xian Gao, Bradley Olsen, Debra Audus

Version 1 posted 25 September 2023

347

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Polymer Science

CRIPT: A Scalable Polymer Material Data Structure

Dylan Walsh, Weizhong Zou, Ludwig Schneider, Reid Mello, Michael Deagen, Joshua Mysona, Tzyy-Shyang Lin, Juan de Pablo, Klavs Jensen, Debra Audus, Bradley Olsen

Version 1 posted 15 September 2022

1,086

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Polymer Science

MacroSimGNN: Efficient and Accurate Calculation of Macromolecule Pairwise Similarity via Graph Neural Network

Jiale Shi, Runzhong Wang, Nathan Rebello, Jiarui Lu, Bradley Olsen, Debra Audus

Version 1 posted 24 December 2024

243

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