AdrianM0 commited on
Commit
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Add BACE-multimodal config via script

Browse files
BACE-multimodal/test-00000-of-00001.parquet ADDED
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BACE-multimodal/train-00000-of-00001.parquet ADDED
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BACE-multimodal/validation-00000-of-00001.parquet ADDED
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README.md CHANGED
@@ -1,5 +1,41 @@
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  ---
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  dataset_info:
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: BBBP-multimodal
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  features:
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  - name: IMAGE
@@ -1087,6 +1123,14 @@ dataset_info:
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  download_size: 1049233833
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  dataset_size: 18378592448.52
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  configs:
 
 
 
 
 
 
 
 
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  - config_name: BBBP-multimodal
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  data_files:
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  - split: test
 
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  ---
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  dataset_info:
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+ - config_name: BACE-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: pIC50
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+ dtype: float64
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+ - name: BACE_inhibition
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 99520461.8
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+ num_examples: 5440
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+ - name: validation
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+ num_bytes: 8833985.0
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+ num_examples: 480
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+ - name: test
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+ num_bytes: 5521407.0
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+ num_examples: 320
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+ download_size: 11536918
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+ dataset_size: 113875853.8
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  - config_name: BBBP-multimodal
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  features:
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  - name: IMAGE
 
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  download_size: 1049233833
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  dataset_size: 18378592448.52
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  configs:
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+ - config_name: BACE-multimodal
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+ data_files:
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+ - split: train
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+ path: BACE-multimodal/train-*
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+ - split: validation
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+ path: BACE-multimodal/validation-*
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+ - split: test
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+ path: BACE-multimodal/test-*
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  - config_name: BBBP-multimodal
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  data_files:
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  - split: test