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computational-chemistryresearch

chemistry-rdkit

Computational chemistry with RDKit for molecular analysis, descriptors, fingerprints, and substructure search. Use when working with SMILES, drug discovery, or cheminformatics tasks.

aiming-lab
maintainer
aiming-lab
Atualizado 3/31/2026
Estrelas
10905
Forks
1243
quick start

Installation and usage

Computational chemistry with RDKit for molecular analysis, descriptors, fingerprints, and substructure search. Use when working with SMILES, drug discovery, or cheminformatics tasks.

Instalação
$ install --globalskills.sh
Uso

Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:

skills use chemistry-rdkit