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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
اپ ڈیٹ ہوا 4/2/2026
اسٹارز
371
فورکس
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.
انسٹالیشن
$ install --globalskills.sh
استعمال
انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:
skills use drug-screening-docking