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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
更新于 4/2/2026
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371
分支
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quick start
Installation and usage
Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.
安装
$ install --globalskills.sh
使用
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use smiles-to-cas-conversion