AdrianM0 commited on
Commit
17a92d1
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1 Parent(s): cc49e06

Add nr_er_lbd_tox21-multimodal config via script

Browse files
README.md CHANGED
@@ -2008,6 +2008,42 @@ 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: nr_er_tox21-multimodal
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  features:
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  - name: IMAGE
@@ -3285,6 +3321,14 @@ 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: nr_er_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_lbd_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-LBD
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 1331200015.04
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+ num_examples: 87192
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+ - name: test
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+ num_bytes: 621768268.73
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+ num_examples: 39879
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+ - name: validation
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+ num_bytes: 217763518.7
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+ num_examples: 12810
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+ download_size: 134438944
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+ dataset_size: 2170731802.47
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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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  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_lbd_tox21-multimodal
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+ data_files:
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+ - split: train
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+ path: nr_er_lbd_tox21-multimodal/train-*
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+ - split: test
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+ path: nr_er_lbd_tox21-multimodal/test-*
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+ - split: validation
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+ path: nr_er_lbd_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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