AdrianM0 commited on
Commit
708b0b6
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1 Parent(s): f882615

Add sr_hse_tox21-multimodal config via script

Browse files
README.md CHANGED
@@ -2472,6 +2472,42 @@ dataset_info:
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  num_examples: 13461
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  download_size: 104215405
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  dataset_size: 1630270466.6
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: sr_mmp_tox21-multimodal
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  features:
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  - name: IMAGE
@@ -3137,6 +3173,14 @@ configs:
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  path: sr_atad5_tox21-multimodal/test-*
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  - split: validation
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  path: sr_atad5_tox21-multimodal/validation-*
 
 
 
 
 
 
 
 
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  - config_name: sr_mmp_tox21-multimodal
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  data_files:
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  - split: train
 
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  num_examples: 13461
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  download_size: 104215405
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  dataset_size: 1630270466.6
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+ - config_name: sr_hse_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-HSE
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 1207342496.25
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+ num_examples: 81375
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+ - name: test
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+ num_bytes: 585057235.21
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+ num_examples: 38283
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+ - name: validation
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+ num_bytes: 197451330.98
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+ num_examples: 12054
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+ download_size: 122777685
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+ dataset_size: 1989851062.44
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  - config_name: sr_mmp_tox21-multimodal
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  features:
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  - name: IMAGE
 
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  path: sr_atad5_tox21-multimodal/test-*
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  - split: validation
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  path: sr_atad5_tox21-multimodal/validation-*
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+ - config_name: sr_hse_tox21-multimodal
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+ data_files:
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+ - split: train
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+ path: sr_hse_tox21-multimodal/train-*
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+ - split: test
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+ path: sr_hse_tox21-multimodal/test-*
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+ - split: validation
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+ path: sr_hse_tox21-multimodal/validation-*
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  - config_name: sr_mmp_tox21-multimodal
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  data_files:
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  - split: train
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