AdrianM0 commited on
Commit
46213bd
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1 Parent(s): e5f0ddc

Add sr_p53_tox21-multimodal config via script

Browse files
README.md CHANGED
@@ -212,6 +212,42 @@ 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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  configs:
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  - config_name: MUV_644-multimodal
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  data_files:
@@ -257,4 +293,12 @@ 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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  ---
 
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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_p53_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_SR-p53
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 847107765.27
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+ num_examples: 77121
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+ - name: test
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+ num_bytes: 407373354.09
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+ num_examples: 35207
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+ - name: validation
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+ num_bytes: 143952678.46
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+ num_examples: 11058
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+ download_size: 95003680
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+ dataset_size: 1398433797.82
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  configs:
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  - config_name: MUV_644-multimodal
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  data_files:
 
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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_p53_tox21-multimodal
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+ data_files:
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+ - split: train
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+ path: sr_p53_tox21-multimodal/train-*
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+ - split: test
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+ path: sr_p53_tox21-multimodal/test-*
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+ - split: validation
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+ path: sr_p53_tox21-multimodal/validation-*
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  ---
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