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Datasets:
maomlab
/
Molecule3D

Tasks:
Tabular Regression
Modalities:
Tabular
Text
Formats:
parquet
Languages:
English
Size:
1M - 10M
ArXiv:
Tags:
molecular geometry
molecular graph
Libraries:
Datasets
Dask
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
Molecule3D
3.75 GB
  • 3 contributors
History: 66 commits
Hani Park
Removed invalid SMILES and updated README.md
2fd49e8 9 months ago
  • Molecule3D_random_split
    Upload dataset 9 months ago
  • Molecule3D_scaffold_split
    Upload dataset 9 months ago
  • .gitattributes
    2.36 kB
    Upload dataset 9 months ago
  • README.md
    8.45 kB
    Removed invalid SMILES and updated README.md 9 months ago