Version v1.0.0

Dataset for: Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders

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Overath, Max Daniel;Andreas, Rygaard;Jenkins, Timothy P.

Description

Benchmarking dataset for the publication: Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised BindersInlcludes the following data: final_data.csv: Dataset with all collected binder features with the following relevant columnsbinder_id: name of bindertarget_id: name of targetbinder: binary experimental binding infosource: source publication of the binderAll other columns are the features described in the publicationinput_pdbs.tar.zst: Input .pdb files used for analysis where file names correspond to binder_id in the final_data.csv; sourced from public available de novo binder design campainsAF2_initial_guess_outputs.tar.zstd: Output .pdb files generated with the initial guess AF2 implementation (https://github.com/nrbennet/dl_binder_design)AF3_outputs.tar.zstd: Compressed output from AF3 including structure (.cif) and confidence files (.json) with one subfolder per binder_idBoltz1_outputs.tar.zstd: Compressed output from Boltz-1 including structure (.cif), summary confidence (.json) and pae/plddt (.npz) files with one subfolder per binder_idColabFold_outputs.tar.zstd: Compressed output from ColabFold including structure (.pdb) and confidedence files (.json)

Citations (0)

Mentions (0)

Metrics

Dataset Index

1.8

FAIR Score

73%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Zenodo

Assigned Domain

Subfield

Sociology and Political Science

Field

Social Sciences

Domain

Social Sciences

Confidence Score

45%

Source

Scholar Data Model

Normalization Factors

FT

13.46

CTw

1.00

MTw

1.00