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Datasets:
maltefranke
/
morph-data

Modalities:
3D
Languages:
English
ArXiv:
Tags:
chemistry
molecular-generation
3d
qm9
geom-drugs
chembl
Dataset card Files Files and versions
xet
Community
morph-data / qm9 /processed
326 MB
Ctrl+K
Ctrl+K
  • 1 contributor
History: 1 commit
maltefranke's picture
maltefranke
Add processed QM9 splits and training assets
88769b9 verified 2 days ago
  • atom_tokens.txt
    10 Bytes
    Add processed QM9 splits and training assets 2 days ago
  • charge_tokens.txt
    7 Bytes
    Add processed QM9 splits and training assets 2 days ago
  • distributions.pt
    2.59 kB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • edge_tokens.txt
    18 Bytes
    Add processed QM9 splits and training assets 2 days ago
  • pre_filter.pt

    Pickle imports

    • No problematic imports detected

    What is a pickle import?

    1.26 kB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • pre_transform.pt

    Pickle imports

    • No problematic imports detected

    What is a pickle import?

    1.26 kB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • test.pt
    28.8 MB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • test_smiles.txt
    199 kB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • train.pt
    241 MB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • train_smiles.txt
    1.61 MB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • val.pt
    54.4 MB
    xet
    Add processed QM9 splits and training assets 2 days ago
  • val_smiles.txt
    313 kB
    xet
    Add processed QM9 splits and training assets 2 days ago