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.
maintainer
lamm-mit
์
๋ฐ์ดํธ๋จ 2026. 3. 14.
์คํ
156
ํฌํฌ
35
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.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use pubchem-database