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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.

InternScience
maintainer
InternScience
Actualizado 2/27/2026
Estrellas
129
Forks
7
quick start

Installation and usage

Convert SMILES strings to CAS registry numbers using material informatics tools to identify chemical substances.

Instalación
$ install --globalskills.sh
Uso

Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:

skills use smiles-to-cas-conversion