Publications by authors named "Tyler Derr"

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Superwater as a generative AI framework to predict water molecule positions on protein structures.
Xiaohan Kuang, Yunchao Lance Liu, Xiaobo Lin, Jesse Spencer-Smith, Tyler Derr

Commun Chem· December 2025

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Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors.
Yunchao Liu, Rocco Moretti, Yu Wang, Ha Dong, Bailu Yan, Tyler Derr

J Chem Inf Model· May 2025

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NeuroGraph: Benchmarks for Graph Machine Learning in Brain Connectomics.
Anwar Said, Roza G Bayrak, Tyler Derr, Mudassir Shabbir, Daniel Moyer

ArXiv· November 2024

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SuperWater: Predicting Water Molecule Positions on Protein Structures by Generative AI.
Xiaohan Kuang, Zhaoqian Su, Yunchao Lance Liu, Xiaobo Lin, Jesse Spencer-Smith, Tyler Derr

bioRxiv· November 2024

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WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking.
Yunchao Lance Liu, Ha Dong, Xin Wang, Rocco Moretti, Yu Wang, Tyler Derr

ArXiv· November 2024

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Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors.
Yunchao Lance Liu, Rocco Moretti, Yu Wang, Ha Dong, Bailu Yan, Tyler Derr

bioRxiv· July 2024

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ADEPT: Autoencoder with differentially expressed genes and imputation for robust spatial transcriptomics clustering.
Yunfei Hu, Yuying Zhao, Curtis T Schunk, Yingxiang Ma, Tyler Derr

iScience· June 2023

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Inferring EHR Utilization Workflows through Audit Logs.
Xinmeng Zhang, Yuying Zhao, Chao Yan, Tyler Derr, You Chen

AMIA Annu Symp Proc· May 2023

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Interpretable Visual Understanding with Cognitive Attention Network.
Xuejiao Tang, Wenbin Zhang, Yi Yu, Kea Turner, Tyler Derr

Artif Neural Netw ICANN· September 2021

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Reveromycin A-Induced Apoptosis in Osteoclasts Is Not Accompanied by Necrosis.
Brittany Mead, Heather Morgan, Alyssa Mann-Knowlton, Laura Tedeschi, Chris Sloan, Tyler Derr

J Cell Biochem· August 2015

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