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Upload dataset

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  1. README.md +41 -4
README.md CHANGED
@@ -13,13 +13,13 @@ configs:
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  - config_name: pcqm4mv2-2d
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  data_files:
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  - split: train
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- path: pcqm4mv2-2d/train*.parquet
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  - split: validation
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- path: pcqm4mv2-2d/validation*.parquet
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  - split: test_dev
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- path: pcqm4mv2-2d/test_dev*.parquet
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  - split: test_challenge
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- path: pcqm4mv2-2d/test_challenge*.parquet
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  - config_name: pcqm4mv2-3d
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  data_files:
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  - split: train
@@ -79,6 +79,43 @@ dataset_info:
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  num_examples: 999
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  download_size: 594084
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  dataset_size: 10185276
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: zinc-12k
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  features:
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  - name: mol_id
 
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  - config_name: pcqm4mv2-2d
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  data_files:
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  - split: train
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+ path: pcqm4mv2-2d/train-*
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  - split: validation
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+ path: pcqm4mv2-2d/validation-*
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  - split: test_dev
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+ path: pcqm4mv2-2d/test_dev-*
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  - split: test_challenge
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+ path: pcqm4mv2-2d/test_challenge-*
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  - config_name: pcqm4mv2-3d
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  data_files:
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  - split: train
 
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  num_examples: 999
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  download_size: 594084
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  dataset_size: 10185276
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+ - config_name: pcqm4mv2-2d
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+ features:
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+ - name: mol_id
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+ dtype: int64
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+ - name: x
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+ list:
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+ list: int64
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+ length: 9
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+ - name: edge_index
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+ list:
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+ list: int64
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+ length: 2
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+ - name: edge_attr
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+ list:
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+ list: int64
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+ length: 3
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+ - name: num_nodes
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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: 7589906373
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+ num_examples: 3378573
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+ - name: validation
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+ num_bytes: 167582697
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+ num_examples: 73545
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+ - name: test_dev
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+ num_bytes: 334892244
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+ num_examples: 147034
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+ - name: test_challenge
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+ num_bytes: 336245939
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+ num_examples: 147429
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+ download_size: 298315678
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+ dataset_size: 8428627253
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  - config_name: zinc-12k
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  features:
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  - name: mol_id