PubChem / README.md
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---
dataset_info:
features:
- name: CID
dtype: int64
- name: SMILES
dtype: large_string
- name: SELFIES
dtype: string
splits:
- name: train
num_bytes: 39173468815.96262
num_examples: 119009905
download_size: 9255291286
dataset_size: 39173468815.96262
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
tags:
- chemistry
- biology
- medical
size_categories:
- 100M<n<1B
---