AdrianM0 commited on
Commit
1acdd4a
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1 Parent(s): 889e1f3

Add p_glycoprotein_inhibition_broccatelli_et_al-multimodal config via script

Browse files
README.md CHANGED
@@ -1604,6 +1604,42 @@ dataset_info:
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  num_examples: 4577
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  download_size: 5136312
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  dataset_size: 93939197.99
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: qm9-multimodal
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  features:
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  - name: IMAGE
@@ -2475,6 +2511,14 @@ configs:
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  data_files:
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  - split: train
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  path: opv-multimodal/train-*
 
 
 
 
 
 
 
 
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  - config_name: qm9-multimodal
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  data_files:
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  - split: train
 
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  num_examples: 4577
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  download_size: 5136312
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  dataset_size: 93939197.99
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+ - config_name: p_glycoprotein_inhibition_broccatelli_et_al-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_name
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+ dtype: string
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+ - name: Pgp_inhibition
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 291075993.65
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+ num_examples: 16695
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+ - name: test
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+ num_bytes: 65610433.84
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+ num_examples: 4032
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+ - name: validation
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+ num_bytes: 57318958.2
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+ num_examples: 3360
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+ download_size: 25196691
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+ dataset_size: 414005385.69
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  - config_name: qm9-multimodal
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  features:
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  - name: IMAGE
 
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  data_files:
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  - split: train
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  path: opv-multimodal/train-*
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+ - config_name: p_glycoprotein_inhibition_broccatelli_et_al-multimodal
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+ data_files:
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+ - split: train
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+ path: p_glycoprotein_inhibition_broccatelli_et_al-multimodal/train-*
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+ - split: test
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+ path: p_glycoprotein_inhibition_broccatelli_et_al-multimodal/test-*
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+ - split: validation
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+ path: p_glycoprotein_inhibition_broccatelli_et_al-multimodal/validation-*
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  - config_name: qm9-multimodal
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  data_files:
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  - split: train
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