metadata
dataset_info:
config_name: chempile-xtra
features:
- name: template
dtype: string
- name: SMILES
dtype: string
- name: IMAGE
dtype: image
- name: pIC50
dtype: float64
- name: BACE_inhibition
dtype: int64
- name: SELFIES
dtype: string
- name: InChI
dtype: string
- name: IUPAC
dtype: string
- name: split
dtype: string
- name: __index_level_0__
dtype: int64
splits:
- name: train
num_bytes: 160424934
num_examples: 11420
- name: valid
num_bytes: 33371076
num_examples: 2530
- name: test
num_bytes: 17243832
num_examples: 1180
download_size: 202538277
dataset_size: 211039842
configs:
- config_name: chempile-xtra
data_files:
- split: train
path: chempile-xtra/train-*
- split: valid
path: chempile-xtra/valid-*
- split: test
path: chempile-xtra/test-*