---
dataset_info:
  config_name: chempile-xtra
  features:
  - name: SMILES
    dtype: string
  - name: pIC50
    dtype: float64
  - name: BACE_inhibition
    dtype: int64
  - name: IMAGE
    dtype: image
  - name: SELFIES
    dtype: string
  - name: InChI
    dtype: string
  - name: IUPAC
    dtype: string
  - name: template
    dtype: string
  - name: __index_level_0__
    dtype: int64
  splits:
  - name: train
    num_bytes: 161921167.5
    num_examples: 11420
  - name: valid
    num_bytes: 33562970.75
    num_examples: 2530
  - name: test
    num_bytes: 16491411.5
    num_examples: 1180
  download_size: 204161213
  dataset_size: 211975549.75
configs:
- config_name: chempile-xtra
  data_files:
  - split: train
    path: chempile-xtra/train-*
  - split: valid
    path: chempile-xtra/valid-*
  - split: test
    path: chempile-xtra/test-*
---