metadata
dataset_info:
features:
- name: smiles
dtype: string
- name: scaffold_smiles
dtype: string
- name: selfies
dtype: string
- name: scaffold_selfies
dtype: string
- name: QED
dtype: float64
- name: DockingScore
dtype: float64
splits:
- name: train
num_bytes: 579751946
num_examples: 1253132
- name: test
num_bytes: 64320903
num_examples: 139222
download_size: 225971277
dataset_size: 644072849
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: test
path: data/test-*