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.

檢視原始碼 computational-chemistry

maintainer

wu-yc

更新於 3/6/2026

星標

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.

安裝

$ install --globalskills.sh

使用

安裝後，您可以透過在終端機執行以下指令來使用此技能：

skills use pubchem-database