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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
Atualizado 4/2/2026
Estrelas
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.
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use drugsda-mol-similarity