metadata

dataset_info:
  features:
    - name: SMILES
      dtype: string
  splits:
    - name: train
      num_bytes: 55395757775
      num_examples: 1006284132
  download_size: 16599203725
  dataset_size: 55395757775
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*

ZINC20 Dataset filtered from ZINC20

This dataset contains molecules from the ZINC20 database, with the following filtering criteria applied:

All molecules include hydrogen atoms.
Disconnected fragments have been removed.
Only molecules with more than 100 atoms have been retained.