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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
آخر تحديث 4/2/2026
النجوم
371
التفرعات
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.

التثبيت
$ install --globalskills.sh
الاستخدام

بعد التثبيت، يمكنك استخدام هذه المهارة بتشغيل الأمر التالي في الطرفية:

skills use drug-screening-docking