YinkaiW/PubChem_filtered
收藏Hugging Face2025-02-07 更新2026-03-29 收录
下载链接：
https://hf-mirror.com/datasets/YinkaiW/PubChem_filtered
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资源简介：
---
dataset_info:
features:
- name: SMILES
dtype: string
splits:
- name: train
num_bytes: 6187446841
num_examples: 107861229
download_size: 2176233790
dataset_size: 6187446841
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
# PubChem Dataset filtered from [pubchem](https://huggingface.co/datasets/xchen16/PubChem)
This dataset contains molecules from the PubChem database, with the following filtering criteria applied:
- All molecules include hydrogen atoms.
- Disconnected fragments have been removed.
- Only molecules with more than 100 atoms have been retained.
提供机构：
YinkaiW
