---
dataset_info:
  features:
  - name: SMILES
    dtype: large_string
  - name: qed
    dtype: float32
  - name: SPS
    dtype: float32
  - name: MolWt
    dtype: float32
  - name: BalabanJ
    dtype: float32
  - name: TPSA
    dtype: float32
  - name: FractionCSP3
    dtype: float32
  - name: HeavyAtomCount
    dtype: int32
  - name: NumAromaticRings
    dtype: int32
  - name: NumHAcceptors
    dtype: int32
  - name: NumHDonors
    dtype: int32
  - name: NumRotatableBonds
    dtype: int32
  - name: RingCount
    dtype: int32
  - name: MolLogP
    dtype: float32
  - name: MolMR
    dtype: float32
  splits:
  - name: train
    num_bytes: 21554867834
    num_examples: 188274604
  - name: val
    num_bytes: 2689718483
    num_examples: 23624692
  - name: test
    num_bytes: 2689883188
    num_examples: 23624950
  download_size: 16948831358
  dataset_size: 26934469505
configs:
- config_name: default
  data_files:
  - split: train
    path: data/train-*
  - split: val
    path: data/val-*
  - split: test
    path: data/test-*
---