home/categories/computational-chemistry/benchflow-ai-skillsbench-tasks-find-topk-similiar-chemicals-environment-skills-pubchem-database-skill-md
computational-chemistryresearch

pubchem-database

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

benchflow-ai
maintainer
benchflow-ai
اپ ڈیٹ ہوا 1/19/2026
اسٹارز
946
فورکس
244
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.

انسٹالیشن
$ install --globalskills.sh
استعمال

انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:

skills use pubchem-database