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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
์
๋ฐ์ดํธ๋จ 2026. 4. 2.
์คํ
371
ํฌํฌ
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.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use drug-screening-docking