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computational-chemistryresearch
drugsda-mol-similarity
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.
maintainer
SpectrAI-Initiative
Actualizado 4/2/2026
Estrellas
371
Forks
23
quick start
Installation and usage
Compute the Tanimoto similarities between a target molecule and a list of candidate molecules using Morgan fingerprints.
Instalación
$ install --globalskills.sh
Uso
Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:
skills use drugsda-mol-similarity