AdrianM0 commited on
Commit
4514573
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verified ·
1 Parent(s): 0c34265

Add nr_er_tox21-multimodal config via script

Browse files
README.md CHANGED
@@ -654,6 +654,42 @@ dataset_info:
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  num_examples: 11025
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  download_size: 84869920
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  dataset_size: 1325392280.44
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: sr_atad5_tox21-multimodal
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  features:
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  - name: IMAGE
@@ -929,6 +965,14 @@ configs:
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  path: nr_aromatase_tox21-multimodal/test-*
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  - split: validation
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  path: nr_aromatase_tox21-multimodal/validation-*
 
 
 
 
 
 
 
 
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  - config_name: sr_atad5_tox21-multimodal
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  data_files:
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  - split: train
 
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  num_examples: 11025
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  download_size: 84869920
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  dataset_size: 1325392280.44
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+ - config_name: nr_er_tox21-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: string
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+ - name: toxicity_NR-ER
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 857942185.05
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+ num_examples: 78015
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+ - name: test
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+ num_bytes: 411181267.22
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+ num_examples: 35406
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+ - name: validation
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+ num_bytes: 143877656.18
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+ num_examples: 11214
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+ download_size: 90477269
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+ dataset_size: 1413001108.45
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  - config_name: sr_atad5_tox21-multimodal
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  features:
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  - name: IMAGE
 
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  path: nr_aromatase_tox21-multimodal/test-*
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  - split: validation
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  path: nr_aromatase_tox21-multimodal/validation-*
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+ - config_name: nr_er_tox21-multimodal
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+ data_files:
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+ - split: train
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+ path: nr_er_tox21-multimodal/train-*
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+ - split: test
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+ path: nr_er_tox21-multimodal/test-*
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+ - split: validation
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+ path: nr_er_tox21-multimodal/validation-*
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  - config_name: sr_atad5_tox21-multimodal
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  data_files:
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  - split: train
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