CROWN: Curated Repository Of Well-resolved Non-covalent interactions

Overview

This repository contains the dataset accompanying the paper:

CROWN: Curated Repository Of Well-resolved Noncovalent interactions
Robin Poelmans, Wout Van Eynde, Bence Bruncsics, Balint Bruncsics, Adam Arany, Yves Moreau, Arnout RD Voet
bioRxiv 2026.03.30.714168; doi: https://doi.org/10.64898/2026.03.30.714168

This dataset contains all 141,261 curated CROWN entries (as .pdb and .sdf), along with any metadata annotations.
See our website https://crown.lbmd.be/ for advanced search and browse options of our database.

Contents

| File | Description | Size |
|------|-------------|------|
| CROWN_metadata.parquet | Metadata annotations for all CROWN entries | 21.5 MB |
| CROWN.tar.gz | .pdb and .sdf files for all CROWN entries | 35.6 GB |

License

This dataset is released under the Creative Commons Attribution 4.0 International (CC BY 4.0) license.

Citation

If you make use of CROWN in your research, please cite our paper:

CROWN: Curated Repository Of Well-resolved Noncovalent interactions
Robin Poelmans, Wout Van Eynde, Bence Bruncsics, Balint Bruncsics, Adam Arany, Yves Moreau, Arnout RD Voet
bioRxiv 2026.03.30.714168; doi: https://doi.org/10.64898/2026.03.30.714168

Contact

For questions about the dataset, please open an issue on the GitHub repository or contact robin.poelmans@kuleuven.be.