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Add m1_muscarinic_receptor_antagonists_butkiewicz-multimodal config via script

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  1. README.md +44 -0
  2. m1_muscarinic_receptor_antagonists_butkiewicz-multimodal/test-00000-of-00006.parquet +3 -0
  3. m1_muscarinic_receptor_antagonists_butkiewicz-multimodal/test-00001-of-00006.parquet +3 -0
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README.md CHANGED
@@ -1286,6 +1286,42 @@ dataset_info:
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  num_examples: 182628
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  download_size: 1278682145
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  dataset_size: 19393257886.28
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: mona-multimodal
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  features:
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  - name: IMAGE
@@ -2307,6 +2343,14 @@ configs:
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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-*
 
 
 
 
 
 
 
 
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  - config_name: mona-multimodal
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  data_files:
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  - split: train
 
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  num_examples: 182628
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  download_size: 1278682145
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  dataset_size: 19393257886.28
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+ - config_name: m1_muscarinic_receptor_antagonists_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_antagonist
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+ dtype: int64
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+ splits:
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+ - name: validation
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+ num_bytes: 2842374808.25
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+ num_examples: 169575
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+ - name: test
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+ num_bytes: 2992463911.16
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+ num_examples: 181868
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+ - name: train
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+ num_bytes: 13607166102.4
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+ num_examples: 803320
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+ download_size: 1279930660
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+ dataset_size: 19442004821.809998
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  - config_name: mona-multimodal
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  features:
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  - name: IMAGE
 
2343
  path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/validation-*
2344
  - split: test
2345
  path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/test-*
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+ - config_name: m1_muscarinic_receptor_antagonists_butkiewicz-multimodal
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+ data_files:
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+ - split: validation
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+ path: m1_muscarinic_receptor_antagonists_butkiewicz-multimodal/validation-*
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+ - split: test
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+ path: m1_muscarinic_receptor_antagonists_butkiewicz-multimodal/test-*
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+ - split: train
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+ path: m1_muscarinic_receptor_antagonists_butkiewicz-multimodal/train-*
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  - config_name: mona-multimodal
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  data_files:
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  - split: train
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:2ab7203c72ef3483eb7be69dcb753046be667d4b5b1c448a030e094d5e4fb32c
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+ size 30896008