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computational-chemistryresearch

drug-discovery-informatics

Patterns for computer-aided drug discovery including virtual screening, molecular docking, ADMET prediction, lead optimization, and integration with AI/ML methods. Covers both structure-based and ligand-based approaches. Use when ", " mentioned.

omer-metin
maintainer
omer-metin
Atualizado 1/22/2026
Estrelas
53
Forks
10
quick start

Installation and usage

Patterns for computer-aided drug discovery including virtual screening, molecular docking, ADMET prediction, lead optimization, and integration with AI/ML methods. Covers both structure-based and ligand-based approaches. Use when ", " mentioned.

Instalação
$ install --globalskills.sh
Uso

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

skills use drug-discovery-informatics