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Datasets:
Tc-43
/
PDE5_Inhibitor_Designs_2H42

Tasks:
Tabular Regression
Graph Machine Learning
Other
Modalities:
Tabular
Text
Formats:
csv
Languages:
English
Size:
1K - 10K
Tags:
chemistry
biology
drug-discovery
molecular-docking
phosphodiesterase
pde5
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
PDE5_Inhibitor_Designs_2H42
16.6 MB
  • 1 contributor
History: 5 commits
Tc-43's picture
Tc-43
Enrich card metadata: keyword tags, pretty_name, task_categories, dataset-viewer config
876234a verified 2 days ago
  • structures
    Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor 24 days ago
  • .gitattributes
    2.5 kB
    initial commit 24 days ago
  • README.md
    7.6 kB
    Enrich card metadata: keyword tags, pretty_name, task_categories, dataset-viewer config 2 days ago
  • designs.csv
    648 kB
    Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor 24 days ago
  • ligands.sdf
    6.71 MB
    Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor 24 days ago
  • receptor_2H42.pdb
    623 kB
    Add PDE5 (2H42) GA-II design set: 2090 docked designs, poses, receptor 24 days ago