introvoyz041/PubChem
收藏Hugging Face2025-12-27 更新2026-03-29 收录
下载链接：
https://hf-mirror.com/datasets/introvoyz041/PubChem
下载链接
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资源简介：
---
dataset_info:
features:
- name: CID
dtype: int64
- name: SMILES
dtype: large_string
- name: SELFIES
dtype: string
splits:
- name: train
num_bytes: 29280467548.8
num_examples: 95207924
- name: val
num_bytes: 3660058289.828831
num_examples: 11900990
- name: test
num_bytes: 3660058597.371169
num_examples: 11900991
download_size: 12629892833
dataset_size: 36600584436.0
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: val
path: data/val-*
- split: test
path: data/test-*
tags:
- chemistry
- biology
- medical
size_categories:
- 100M<n<1B
---
提供机构：
introvoyz041
