metadata
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-*