computational-chemistryresearch
smiles-to-cas-conversion
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
maintainer
InternScience
์
๋ฐ์ดํธ๋จ 2026. 2. 27.
์คํ
129
ํฌํฌ
7
quick start
Installation and usage
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use smiles-to-cas-conversion