juppy44/moltextnet-with-inchikey-rdkit
收藏Hugging Face2026-03-22 更新2026-03-29 收录
下载链接：
https://hf-mirror.com/datasets/juppy44/moltextnet-with-inchikey-rdkit
下载链接
链接失效反馈官方服务：
资源简介：
---
dataset_info:
features:
- name: id
dtype: string
- name: canonical_smiles
dtype: string
- name: description
dtype: string
- name: inchi_key
dtype: string
- name: mw
dtype: float64
- name: logp
dtype: float64
- name: tpsa
dtype: float64
- name: hbd
dtype: int64
- name: hba
dtype: int64
- name: rot_bonds
dtype: int64
- name: rings
dtype: int64
- name: aromatic_rings
dtype: int64
- name: heavy_atoms
dtype: int64
- name: rdkit_valid
dtype: bool
splits:
- name: train
num_bytes: 5558348219
num_examples: 2474584
download_size: 2034982317
dataset_size: 5558348219
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
提供机构：
juppy44
