AdrianM0 commited on
Commit
5853414
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verified ·
1 Parent(s): 2d07cbe

Add nr_ar_tox21-multimodal config via script

Browse files
README.md CHANGED
@@ -798,6 +798,42 @@ dataset_info:
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  num_examples: 357
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  download_size: 110718808
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  dataset_size: 732396836.15
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: nr_aromatase_tox21-multimodal
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  features:
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  - name: IMAGE
@@ -1215,6 +1251,14 @@ configs:
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  path: ld50_catmos-multimodal/test-*
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  - split: validation
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  path: ld50_catmos-multimodal/validation-*
 
 
 
 
 
 
 
 
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  - config_name: nr_aromatase_tox21-multimodal
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  data_files:
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  - split: train
 
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  num_examples: 357
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  download_size: 110718808
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  dataset_size: 732396836.15
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+ - config_name: nr_ar_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-AR
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 1385482858.51
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+ num_examples: 90573
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+ - name: test
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+ num_bytes: 637465265.12
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+ num_examples: 41076
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+ - name: validation
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+ num_bytes: 247920106.76
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+ num_examples: 14448
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+ download_size: 140572004
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+ dataset_size: 2270868230.3900003
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  - config_name: nr_aromatase_tox21-multimodal
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  features:
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  - name: IMAGE
 
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  path: ld50_catmos-multimodal/test-*
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  - split: validation
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  path: ld50_catmos-multimodal/validation-*
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+ - config_name: nr_ar_tox21-multimodal
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+ data_files:
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+ - split: train
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+ path: nr_ar_tox21-multimodal/train-*
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+ - split: test
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+ path: nr_ar_tox21-multimodal/test-*
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+ - split: validation
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+ path: nr_ar_tox21-multimodal/validation-*
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  - config_name: nr_aromatase_tox21-multimodal
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  data_files:
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  - split: train
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