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computational-chemistryresearch
drug-screening-docking
Comprehensive drug screening pipeline from molecular filtering through QED/ADMET criteria to protein-ligand docking, identifying promising drug candidates.
maintainer
SpectrAI-Initiative
Atualizado 4/2/2026
Estrelas
371
Forks
23
quick start
Installation and usage
Comprehensive drug screening pipeline from molecular filtering through QED/ADMET criteria to protein-ligand docking, identifying promising drug candidates.
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use drug-screening-docking