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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
अपडेट किया गया 4/2/2026
स्टार
371
फोर्क
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.

इंस्टॉलेशन
$ install --globalskills.sh
उपयोग

इंस्टॉल करने के बाद, आप टर्मिनल में यह कमांड चलाकर इस स्किल का उपयोग कर सकते हैं:

skills use drug-screening-docking