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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
更新日 4/2/2026
スター
371
フォーク
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.

インストール
$ install --globalskills.sh
使い方

インストール後、ターミナルで以下のコマンドを実行してこのスキルを使用できます:

skills use drug-screening-docking