README.md

metadata

dataset_info:
  features:
    - name: smiles
      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
    - name: rdkit_NumAtoms
      dtype: float64
    - name: rdkit_TPSA
      dtype: float64
configs:
  - config_name: default
    data_files:
      - split: train
        path: train/*/*.arrow
      - split: test
        path: test/*/*.arrow
  - config_name: cls
    data_files:
      - split: train
        path: train/cls/*.arrow
      - split: test
        path: test/cls/*.arrow
  - config_name: cno
    data_files:
      - split: train
        path: train/cno/*.arrow
      - split: test
        path: test/cno/*.arrow
  - config_name: cn
    data_files:
      - split: train
        path: train/cn/*.arrow
      - split: test
        path: test/cn/*.arrow
  - config_name: co
    data_files:
      - split: train
        path: train/co/*.arrow
      - split: test
        path: test/co/*.arrow
  - config_name: g
    data_files:
      - split: train
        path: train/g/*.arrow
      - split: test
        path: test/g/*.arrow
  - config_name: sk
    data_files:
      - split: train
        path: train/sk/*.arrow
      - split: test
        path: test/sk/*.arrow
task_categories:
  - text-generation
  - text2text-generation
  - feature-extraction
tags:
  - chemistry
size_categories:
  - 1B<n<10B

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