---
dataset_info:
  features:
  - name: index
    dtype: int64
  - name: A
    dtype: float64
  - name: B
    dtype: float64
  - name: C
    dtype: float64
  - name: mu
    dtype: float64
  - name: alpha
    dtype: float64
  - name: homo
    dtype: float64
  - name: lumo
    dtype: float64
  - name: gap
    dtype: float64
  - name: r2
    dtype: float64
  - name: zpve
    dtype: float64
  - name: U0
    dtype: float64
  - name: U
    dtype: float64
  - name: H
    dtype: float64
  - name: G
    dtype: float64
  - name: Cv
    dtype: float64
  - 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
  splits:
  - name: train
    num_bytes: 29469384.608357918
    num_examples: 123885
  - name: test
    num_bytes: 1189384.6958210405
    num_examples: 5000
  - name: validation
    num_bytes: 1189384.6958210405
    num_examples: 5000
  download_size: 24618160
  dataset_size: 31848153.999999996
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
  - split: test
    path: data/test-*
  - split: validation
    path: data/validation-*
---