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Add herg_central_inhib-multimodal config via script (part 00003-of-00004)

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  1. README.md +44 -0
  2. herg_central_inhib-multimodal/test-00000-of-00013.parquet +3 -0
  3. herg_central_inhib-multimodal/test-00001-of-00013.parquet +3 -0
  4. herg_central_inhib-multimodal/test-00002-of-00013.parquet +3 -0
  5. herg_central_inhib-multimodal/test-00003-of-00013.parquet +3 -0
  6. herg_central_inhib-multimodal/test-00004-of-00013.parquet +3 -0
  7. herg_central_inhib-multimodal/test-00005-of-00013.parquet +3 -0
  8. herg_central_inhib-multimodal/test-00006-of-00013.parquet +3 -0
  9. herg_central_inhib-multimodal/test-00007-of-00013.parquet +3 -0
  10. herg_central_inhib-multimodal/test-00008-of-00013.parquet +3 -0
  11. herg_central_inhib-multimodal/test-00009-of-00013.parquet +3 -0
  12. herg_central_inhib-multimodal/test-00010-of-00013.parquet +3 -0
  13. herg_central_inhib-multimodal/test-00011-of-00013.parquet +3 -0
  14. herg_central_inhib-multimodal/test-00012-of-00013.parquet +3 -0
  15. herg_central_inhib-multimodal/train-00150-of-00168.parquet +3 -0
  16. herg_central_inhib-multimodal/train-00151-of-00168.parquet +3 -0
  17. herg_central_inhib-multimodal/train-00152-of-00168.parquet +3 -0
  18. herg_central_inhib-multimodal/train-00153-of-00168.parquet +3 -0
  19. herg_central_inhib-multimodal/train-00154-of-00168.parquet +3 -0
  20. herg_central_inhib-multimodal/train-00155-of-00168.parquet +3 -0
  21. herg_central_inhib-multimodal/train-00156-of-00168.parquet +3 -0
  22. herg_central_inhib-multimodal/train-00157-of-00168.parquet +3 -0
  23. herg_central_inhib-multimodal/train-00158-of-00168.parquet +3 -0
  24. herg_central_inhib-multimodal/train-00159-of-00168.parquet +3 -0
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  26. herg_central_inhib-multimodal/train-00161-of-00168.parquet +3 -0
  27. herg_central_inhib-multimodal/train-00162-of-00168.parquet +3 -0
  28. herg_central_inhib-multimodal/train-00163-of-00168.parquet +3 -0
  29. herg_central_inhib-multimodal/train-00164-of-00168.parquet +3 -0
  30. herg_central_inhib-multimodal/train-00165-of-00168.parquet +3 -0
  31. herg_central_inhib-multimodal/train-00166-of-00168.parquet +3 -0
  32. herg_central_inhib-multimodal/train-00167-of-00168.parquet +3 -0
  33. herg_central_inhib-multimodal/validation-00000-of-00012.parquet +3 -0
  34. herg_central_inhib-multimodal/validation-00001-of-00012.parquet +3 -0
  35. herg_central_inhib-multimodal/validation-00002-of-00012.parquet +3 -0
  36. herg_central_inhib-multimodal/validation-00003-of-00012.parquet +3 -0
  37. herg_central_inhib-multimodal/validation-00004-of-00012.parquet +3 -0
  38. herg_central_inhib-multimodal/validation-00005-of-00012.parquet +3 -0
  39. herg_central_inhib-multimodal/validation-00006-of-00012.parquet +3 -0
  40. herg_central_inhib-multimodal/validation-00007-of-00012.parquet +3 -0
  41. herg_central_inhib-multimodal/validation-00008-of-00012.parquet +3 -0
  42. herg_central_inhib-multimodal/validation-00009-of-00012.parquet +3 -0
  43. herg_central_inhib-multimodal/validation-00010-of-00012.parquet +3 -0
  44. herg_central_inhib-multimodal/validation-00011-of-00012.parquet +3 -0
README.md CHANGED
@@ -1664,6 +1664,42 @@ dataset_info:
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  num_examples: 1919
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  download_size: 13267691
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  dataset_size: 200720698.3
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: herg_karim_et_al-multimodal
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  features:
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  - name: IMAGE
@@ -3609,6 +3645,14 @@ configs:
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  path: herg_blockers-multimodal/test-*
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  - split: validation
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  path: herg_blockers-multimodal/validation-*
 
 
 
 
 
 
 
 
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  - config_name: herg_karim_et_al-multimodal
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  data_files:
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  - split: train
 
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  num_examples: 1919
1665
  download_size: 13267691
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  dataset_size: 200720698.3
1667
+ - config_name: herg_central_inhib-multimodal
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+ features:
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+ - name: IMAGE
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+ dtype: image
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+ - name: template
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+ dtype: string
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+ - name: template_original
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+ dtype: string
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+ - name: SMILES
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+ dtype: string
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+ - name: SMILES_ORIGINAL
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+ dtype: string
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+ - name: SELFIES
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+ dtype: string
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+ - name: InChI
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+ dtype: string
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+ - name: IUPAC
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+ dtype: string
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+ - name: split
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+ dtype: string
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+ - name: compound_id
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+ dtype: int64
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+ - name: herg_inhib
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 83904634756.12
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+ num_examples: 5078776
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+ - name: test
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+ num_bytes: 6159771148.13
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+ num_examples: 378499
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+ - name: validation
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+ num_bytes: 5923247630.85
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+ num_examples: 356155
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+ download_size: 6351873312
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+ dataset_size: 95987653535.1
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  - config_name: herg_karim_et_al-multimodal
1704
  features:
1705
  - name: IMAGE
 
3645
  path: herg_blockers-multimodal/test-*
3646
  - split: validation
3647
  path: herg_blockers-multimodal/validation-*
3648
+ - config_name: herg_central_inhib-multimodal
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+ data_files:
3650
+ - split: train
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+ path: herg_central_inhib-multimodal/train-*
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+ - split: test
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+ path: herg_central_inhib-multimodal/test-*
3654
+ - split: validation
3655
+ path: herg_central_inhib-multimodal/validation-*
3656
  - config_name: herg_karim_et_al-multimodal
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  data_files:
3658
  - split: train
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