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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
Updated 4/2/2026
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quick start
Installation and usage
Comprehensive drug screening pipeline from molecular filtering through QED/ADMET criteria to protein-ligand docking, identifying promising drug candidates.
Installation
$ install --globalskills.sh
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use drug-screening-docking