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| Autores principales: | , , , |
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| Formato: | Recurso digital |
| Lenguaje: | |
| Publicado: |
Zenodo
2024
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| Acceso en línea: | https://doi.org/10.5281/zenodo.15571599 |
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- <p>The modified version of the sc-PDB dataset that was used for GrASP training. See the original <a href="http://bioinfo-pharma.u-strasbg.fr/scPDB/">sc-PDB database</a> for raw input structures.</p> <ol> <li><strong>ready_to_parse_mol2.zip</strong>: Protein and ligand structures after our additional processing was applied.</li> <li><strong>processed.zip</strong>: Processed protein graphs used as graph neural network inputs.</li> <li><strong>no_ligands.txt</strong>: List of systems that did not have any bound ligands according to the geometric criteria from P2Rank.</li> <li><strong>scPDB_uniprot.pkl</strong>: Pickle containing UniProt ID(s) for each receptor, used to define train/test splits.</li> </ol>