Illinois Data Bank

Data for ESMDynamic: Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences

Cite this dataset:
Kleiman, Diego; Feng, Jiangyan; Xue, Zhengyuan; Shukla, Diwakar (2026): Data for ESMDynamic: Fast and Accurate Prediction of Protein Dynamic Contact Maps from Single Sequences. University of Illinois Urbana-Champaign. https://doi.org/10.13012/B2IDB-3773897_V2

Dataset Description

This repository contains data and model weights associated with the publication "ESMDynamic: 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.

Subject

Life Sciences

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

Downloaded

 94 times
Version DOI Comment Publication Date
2 10.13012/B2IDB-3773897_V2 Made substantial changes to the data after the peer review 2026-04-17
1 10.13012/B2IDB-3773897_V1 2025-06-23

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Contact the Research Data Service for help interpreting this log.

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Creator create: {"family_name"=>"Shukla", "given_name"=>"Diwakar", "identifier"=>"0000-0003-4079-5381", "email"=>"diwakar@illinois.edu", "is_contact"=>true, "row_position"=>4} 2026-04-09T20:26:21Z
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