metadata
dataset_info:
features:
- name: ID
dtype: large_string
- name: SMILES
dtype: large_string
- name: SELFIES
dtype: string
- name: SAFE
dtype: string
splits:
- name: train
num_bytes: 817302572
num_examples: 1942492
- name: test_molecular_weight
num_bytes: 56974112
num_examples: 135411
- name: test_scaffold
num_bytes: 172539700
num_examples: 410077
- name: test_max_dissimilarity
num_bytes: 35688394
num_examples: 84821
- name: test_random
num_bytes: 56974112
num_examples: 135411
download_size: 397357411
dataset_size: 1139478890
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: test_molecular_weight
path: data/test_molecular_weight-*
- split: test_scaffold
path: data/test_scaffold-*
- split: test_max_dissimilarity
path: data/test_max_dissimilarity-*
- split: test_random
path: data/test_random-*