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ZENODO
Dataset . 2024
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
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DockM8_Benchmarking_results

Research datakeyboard_double_arrow_right Dataset 22 Jul 2024Embargo end date: 14 May 2024Publisher:Zenodo
Authors: Lacour, Antoine; Volkamer, Andrea; Hirsch, Anna; Ibrahim, Hamza;

doi: 10.5281/zenodo.11191685 , 10.5281/zenodo.11191684

DockM8_Benchmarking_results

Abstract

The repository contains the benchmarking data obtained alongside the first version of DockM8. The file structure is explained in DockM8_v1_file_structure_explanation.txt We hope this data is useful for benchmarking scoring functions and machine learning models, as well as being a large repository of pre-docked poses using a variety of algorithms.

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Keywords

scoring functions, dockm8, structure-based virtual screening, docking, DUD-E, scoring function, DEKOIS, DUDE, Lit-PCBA, virtual screening, DockM8, lit-pcba

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average