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bio-reaction-enumeration
Enumerates chemical libraries through reaction SMARTS transformations using RDKit. Generates virtual compound libraries from building blocks using defined chemical reactions with product validation. Use when creating combinatorial libraries or enumerating products from synthetic routes.
maintainer
GPTomics
์
๋ฐ์ดํธ๋จ 2026. 2. 13.
์คํ
471
ํฌํฌ
81
quick start
Installation and usage
Enumerates chemical libraries through reaction SMARTS transformations using RDKit. Generates virtual compound libraries from building blocks using defined chemical reactions with product validation. Use when creating combinatorial libraries or enumerating products from synthetic routes.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
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skills use bio-reaction-enumeration