File size: 956 Bytes
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dataset_info:
features:
- name: SMILES
dtype: large_string
- name: ID
dtype: large_string
- name: SELFIES
dtype: string
- name: SAFE
dtype: string
splits:
- name: train
num_bytes: 330390614
num_examples: 1198755
- name: test_molecular_weight
num_bytes: 25842157
num_examples: 93763
- name: test_scaffold
num_bytes: 109251279
num_examples: 396396
- name: test_max_dissimilarity
num_bytes: 25517211
num_examples: 92584
- name: test_random
num_bytes: 25842157
num_examples: 93763
download_size: 179494304
dataset_size: 516843418
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-*
---
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