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Add m1_muscarinic_receptor_agonists_butkiewicz-multimodal config via script

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  1. README.md +44 -0
  2. m1_muscarinic_receptor_agonists_butkiewicz-multimodal/test-00000-of-00007.parquet +3 -0
  3. m1_muscarinic_receptor_agonists_butkiewicz-multimodal/test-00001-of-00007.parquet +3 -0
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  9. m1_muscarinic_receptor_agonists_butkiewicz-multimodal/train-00000-of-00028.parquet +3 -0
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  37. m1_muscarinic_receptor_agonists_butkiewicz-multimodal/validation-00000-of-00006.parquet +3 -0
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README.md CHANGED
@@ -1152,6 +1152,42 @@ dataset_info:
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  num_examples: 357
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  download_size: 110718808
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  dataset_size: 732396836.15
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1155
  - config_name: nr_ar_tox21-multimodal
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  features:
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  - name: IMAGE
@@ -2071,6 +2107,14 @@ 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_ar_tox21-multimodal
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  data_files:
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  - split: train
 
1152
  num_examples: 357
1153
  download_size: 110718808
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  dataset_size: 732396836.15
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+ - config_name: m1_muscarinic_receptor_agonists_butkiewicz-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: int64
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+ - name: m1_muscarinic_agonist
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 13556198574.21
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+ num_examples: 804783
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+ - name: validation
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+ num_bytes: 2835418620.71
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+ num_examples: 169233
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+ - name: test
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+ num_bytes: 3001640691.36
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+ num_examples: 182628
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+ download_size: 1278682145
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+ dataset_size: 19393257886.28
1191
  - config_name: nr_ar_tox21-multimodal
1192
  features:
1193
  - name: IMAGE
 
2107
  path: ld50_catmos-multimodal/test-*
2108
  - split: validation
2109
  path: ld50_catmos-multimodal/validation-*
2110
+ - config_name: m1_muscarinic_receptor_agonists_butkiewicz-multimodal
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+ data_files:
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+ - split: train
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+ path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/train-*
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+ - split: validation
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+ path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/validation-*
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+ - split: test
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+ path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/test-*
2118
  - config_name: nr_ar_tox21-multimodal
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  data_files:
2120
  - split: train
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