Dataset · Hugging Face

photonmz/pdbbindpp-2020

Name: pdbbindpp-2020
Creator: photonmz
License: other
Keywords: task_categories:other, license:other, size_categories:1K<n<10K, region:us, protein-ligand, molecular-docking, drug-discovery, structural-biology, pdb, binding-affinity

PDBbind 2020 Refined Set Curated collection of 5,316 high-quality protein-ligand complexes with experimentally measured binding affinity data from PDBbind v.2020 refined set. Structure 5,316 directories named by PDB ID Each contains: protein.pdb, pocket.pdb, ligand.mol2, ligand.sdf Total size: ~2.7 GB Citation Liu, Z.H. et al. Acc. Chem. Res. 2017, 50, 302-309.

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Author / organization	photonmz
License (as declared)	other
Downloads	350 (as reported by Hugging Face)
Likes	2
Created	26 May 2025
Last updated at source	26 May 2025

protein-ligandmolecular-dockingdrug-discoverystructural-biologypdbbinding-affinity

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