metadata
dataset_info:
features:
- name: compound_id
dtype: string
- name: SMILES
dtype: string
- name: toxicity_NR-Aromatase
dtype: int64
- name: split
dtype: string
- name: SMILES_ORIGINAL
dtype: string
- name: IMAGE
dtype: image
- name: SELFIES
dtype: string
- name: InChIKey
dtype: string
- name: IUPAC
dtype: string
- name: template_original
dtype: string
- name: template
dtype: string
splits:
- name: train
num_bytes: 1109155031.5
num_examples: 72828
- name: test
num_bytes: 511633115.125
num_examples: 33159
- name: valid
num_bytes: 185716706.875
num_examples: 11025
download_size: 1739223771
dataset_size: 1806504853.5
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: test
path: data/test-*
- split: valid
path: data/valid-*