README.md

metadata

dataset_info:
  features:
    - name: smiles
      dtype: string
    - name: zinc_id
      dtype: int64
    - name: inchikey
      dtype: string
    - name: mwt
      dtype: float64
    - name: logp
      dtype: float64
    - name: reactive
      dtype: int64
    - name: purchasable
      dtype: int64
    - name: tranche_name
      dtype: string
    - name: features
      dtype: string
    - name: canonsmiles
      dtype: string
    - name: isSmilesEqual
      dtype: bool
    - name: generic_scaffold
      dtype: string
    - name: scaffold
      dtype: string
    - name: rdkit_WT
      dtype: float64
    - name: rdkit_MR
      dtype: float64
    - name: rdkit_LogP
      dtype: float64
    - name: rdkit_HA
      dtype: float64
    - name: rdkit_HD
      dtype: float64
  splits:
    - name: test
      num_bytes: 2587127
      num_examples: 8330
  download_size: 1372074
  dataset_size: 2587127
configs:
  - config_name: default
    data_files:
      - split: train
        path: train/shard_*/*.arrow
      - split: test
        path: test/shard_*/*.arrow

Dataset Card for Dataset Name

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Dataset Details

Dataset Description

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