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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.

SpectrAI-Initiative
maintainer
SpectrAI-Initiative
Actualizado 4/2/2026
Estrellas
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.

Instalación
$ install --globalskills.sh
Uso

Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:

skills use drug-screening-docking