pubchem-database

Name: pubchem-database
Author: wu-yc

Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.

查看源码 computational-chemistry

maintainer

wu-yc

更新于 3/6/2026

星标

950

分支

140

quick start

Installation and usage

Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics.

安装

$ install --globalskills.sh

使用

安装后，您可以通过在终端运行以下命令来使用此技能：

skills use pubchem-database