Illinois Data Bank - Dataset

Data for Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences
Cite this dataset:
Kleiman, Diego; Feng, Jiangyan; Xue, Zhengyuan; Shukla, Diwakar (2025): Data for Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences. University of Illinois Urbana-Champaign. https://doi.org/10.13012/B2IDB-3773897_V1
Dataset Description

This repository contains data and model weights associated with the publication "Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences". It includes the datasets used for training and evaluating a dynamic contact prediction model, ESMDynamic, as well as a script for conversion and usage.
Keywords Computational biology; Structural biology; Molecular dynamics; Machine learning; Protein modeling; Bioinformatics; Biophysics; Artificial intelligence
License CC BY
Funder U.S. National Science Foundation (NSF)-Grant:MCB-1845606
Funder U.S. National Science Foundation (NSF)-Grant:CHE-2136142
Corresponding Creator Diwakar Shukla
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Version DOI Comment Publication Date
1 10.13012/B2IDB-3773897_V1 2025-06-23

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