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computational-chemistryresearch
smiles-to-cas-conversion
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
maintainer
SpectrAI-Initiative
์
๋ฐ์ดํธ๋จ 2026. 4. 2.
์คํ
371
ํฌํฌ
23
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