Dataset · Hugging Face

Kingldore/dude-vs

Name: dude-vs
Creator: Kingldore
License: other
Keywords: license:other, size_categories:1M<n<10M, format:parquet, format:optimized-parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, doi:10.57967/hf/10445, region:us, chemistry, molecular-docking, virtual-screening

DUD-E Docked Poses (gnina virtual screening) The docked poses from dude_vs.tgz, produced by the Koes lab at the University of Pittsburgh for Virtual Screening with Gnina 1.0. The original is one 14.7 GB archive that must be read start to finish. Here it is split by target into dude-vs/, one archive per DUD-E target, so you can download only the targets you need: hf download Kingldore/dude-vs dude-vs/cdk2.tar.gz --repo-type dataset tar -xzf dude-vs/cdk2.tar.gz 102 targets, 4,363… See the full description on the dataset page: https://huggingface.co/datasets/Kingldore/dude-vs.

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Author / organization	Kingldore
License (as declared)	other
Downloads	320 (as reported by Hugging Face)
Likes	0
Created	7 August 2026
Last updated at source	5 October 2026

chemistrymolecular-dockingvirtual-screeningdrug-discoverygninadud-e

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