Published July 26, 2023
| Version 0.1.1
Dataset
Open
Data for DeepRank-Core tutorials
Description
This data contains raw PDB files and other metadata that can be used to run DeepRank-Core tutorials for processing and later training on protein-protein interfaces and protein structures containing missense variants. See the folder tutorials/ at https://github.com/DeepRank/deeprank-core for more information.
The PDB files in data_raw/ppi/ folder have been generated using PANDORA software.
The PDB files in data_raw/variant folder have been retrieved from Ramakrishnan et al.
Files
data_processed.zip
Files
(4.5 GB)
| Name | Size | Download all |
|---|---|---|
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md5:02fa9fec850869c4d6a66d3ba28ea246
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4.5 GB | Preview Download |
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md5:0754bc6e05be6c355e02bec40b41f9bc
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9.7 MB | Preview Download |
Additional details
References
- Marzella DF, Parizi FM, van Tilborg D, Renaud N, Sybrandi D, Buzatu R, Rademaker DT, 't Hoen PAC, Xue LC. PANDORA: A Fast, Anchor-Restrained Modelling Protocol for Peptide: MHC Complexes. Front Immunol. 2022 May 10;13:878762. doi: 10.3389/fimmu.2022.878762. PMID: 35619705; PMCID: PMC9127323.
- Ramakrishnan G, Baakman C, Heijl S, Vroling B, van Horck R, Hiraki J, Xue LC, Huynen MA. Understanding structure-guided variant effect predictions using 3D convolutional neural networks. Front Mol Biosci. 2023 Jul 5;10:1204157. doi: 10.3389/fmolb.2023.1204157. PMID: 37475887; PMCID: PMC10354367.