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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
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 Community
maltefranke commited on
Commit
95a876e
·
verified ·
1 Parent(s): b8cf365

Add processed QM9, GEOM-Drugs, and ChEMBL3D caches

Browse files
Files changed (20) hide show
  1. .gitattributes +4 -59
  2. chembl3d/processed/atom_tokens.txt +13 -0
  3. chembl3d/processed/charge_tokens.txt +3 -0
  4. chembl3d/processed/distributions.pt +3 -0
  5. chembl3d/processed/edge_tokens.txt +4 -0
  6. chembl3d/processed/preprocessing_summary.json +9 -0
  7. chembl3d/processed/test_data.lmdb/data.mdb +3 -0
  8. chembl3d/processed/test_smiles.txt +0 -0
  9. chembl3d/processed/train_data.lmdb/data.mdb +3 -0
  10. chembl3d/processed/train_smiles.txt +3 -0
  11. chembl3d/processed/val_data.lmdb/data.mdb +3 -0
  12. chembl3d/processed/val_smiles.txt +0 -0
  13. chembl3d_max100/processed/atom_tokens.txt +13 -0
  14. chembl3d_max100/processed/charge_tokens.txt +3 -0
  15. chembl3d_max100/processed/distributions.pt +3 -0
  16. chembl3d_max100/processed/edge_tokens.txt +4 -0
  17. chembl3d_max100/processed/preprocessing_summary.json +457 -0
  18. chembl3d_max100/processed/test_data.lmdb/data.mdb +3 -0
  19. chembl3d_max100/processed/test_smiles.txt +0 -0
  20. chembl3d_max100/processed/test_source_indices.npy +3 -0
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