altaidevorg/PubChem-SMILES-SELFIES-InChI-IUPAC-v3
收藏Hugging Face2026-02-02 更新2026-02-07 收录
下载链接：
https://hf-mirror.com/datasets/altaidevorg/PubChem-SMILES-SELFIES-InChI-IUPAC-v3
下载链接
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资源简介：
---
dataset_info:
features:
- name: CID
dtype: int64
- name: SMILES
dtype: string
- name: SMILES_Canonical
dtype: string
- name: SELFIES
dtype: string
- name: inchi
dtype: string
- name: iupac
dtype: string
- name: formula
dtype: string
- name: image_source
dtype: string
- name: image_1
dtype: image
- name: image_2
dtype: image
- name: image_3
dtype: image
splits:
- name: train
num_bytes: 24125020467
num_examples: 498890
download_size: 23877787610
dataset_size: 24125020467
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
提供机构：
altaidevorg
