alagesse commited on
Commit
1b9fe79
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1 Parent(s): 5c6a6e3

Upload dataset

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README.md CHANGED
@@ -97,6 +97,29 @@ dataset_info:
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  num_examples: 3195733
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  download_size: 611920741
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  dataset_size: 7740140329
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: zinc-250k
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  features:
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  - name: mol_id
@@ -148,6 +171,16 @@ configs:
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  data_files:
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  - split: train
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  path: pcqm4mv2-3d/train-*
 
 
 
 
 
 
 
 
 
 
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  - config_name: zinc-250k
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  data_files:
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  - split: train
 
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  num_examples: 3195733
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  download_size: 611920741
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  dataset_size: 7740140329
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+ - config_name: pcqm4mv2-smiles
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+ features:
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+ - name: mol_id
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+ dtype: int64
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+ - name: smiles
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+ dtype: string
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+ - name: target
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+ dtype: float32
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+ splits:
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+ - name: train
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+ num_bytes: 145209254
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+ num_examples: 3378606
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+ - name: validation
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+ num_bytes: 3185273
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+ num_examples: 73545
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+ - name: test_dev
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+ num_bytes: 6365708
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+ num_examples: 147037
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+ - name: test_challenge
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+ num_bytes: 6382455
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+ num_examples: 147432
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+ download_size: 70787253
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+ dataset_size: 161142690
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  - config_name: zinc-250k
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  features:
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  - name: mol_id
 
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  data_files:
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  - split: train
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  path: pcqm4mv2-3d/train-*
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+ - config_name: pcqm4mv2-smiles
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+ data_files:
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+ - split: train
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+ path: pcqm4mv2-smiles/train-*
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+ - split: validation
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+ path: pcqm4mv2-smiles/validation-*
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+ - split: test_dev
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+ path: pcqm4mv2-smiles/test_dev-*
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+ - split: test_challenge
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+ path: pcqm4mv2-smiles/test_challenge-*
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  - config_name: zinc-250k
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  data_files:
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  - split: train
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