metadata
dataset_info:
features:
- name: ID
dtype: large_string
- name: SMILES
dtype: large_string
- name: smiles
dtype: string
- name: selfies
dtype: string
- name: safe
dtype: string
splits:
- name: train
num_bytes: 1211756014
num_examples: 2501746
- name: test_molecular_weight
num_bytes: 24218206
num_examples: 50000
- name: test_scaffold
num_bytes: 24225956
num_examples: 50016
- name: test_max_dissimilarity
num_bytes: 27342354
num_examples: 56450
- name: test_random
num_bytes: 24218206
num_examples: 50000
download_size: 494282767
dataset_size: 1311760736
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-*