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maltefranke
/
morph-data

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3D
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English
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Tags:
chemistry
molecular-generation
3d
qm9
geom-drugs
chembl
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maltefranke commited on
Commit
88769b9
·
verified ·
1 Parent(s): 2139438

Add processed QM9 splits and training assets

Browse files
Files changed (12) hide show
  1. qm9/processed/atom_tokens.txt +5 -0
  2. qm9/processed/charge_tokens.txt +3 -0
  3. qm9/processed/distributions.pt +3 -0
  4. qm9/processed/edge_tokens.txt +5 -0
  5. qm9/processed/pre_filter.pt +3 -0
  6. qm9/processed/pre_transform.pt +3 -0
  7. qm9/processed/test.pt +3 -0
  8. qm9/processed/test_smiles.txt +3 -0
  9. qm9/processed/train.pt +3 -0
  10. qm9/processed/train_smiles.txt +3 -0
  11. qm9/processed/val.pt +3 -0
  12. qm9/processed/val_smiles.txt +3 -0
qm9/processed/atom_tokens.txt ADDED
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qm9/processed/charge_tokens.txt ADDED
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qm9/processed/distributions.pt ADDED
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qm9/processed/edge_tokens.txt ADDED
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qm9/processed/pre_filter.pt ADDED
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qm9/processed/pre_transform.pt ADDED
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qm9/processed/test.pt ADDED
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qm9/processed/train.pt ADDED
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qm9/processed/val.pt ADDED
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qm9/processed/val_smiles.txt ADDED
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