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computational-chemistryresearch

drugsda-drug-likeness

Compute the drug-likeness metrics (QED score and Number of violations of Lipinski's Rule of Five) of the input candidate molecules (SMILES format).

SpectrAI-Initiative
maintainer
SpectrAI-Initiative
업데이트됨 4/2/2026
스타
371
포크
23
quick start

Installation and usage

Compute the drug-likeness metrics (QED score and Number of violations of Lipinski's Rule of Five) of the input candidate molecules (SMILES format).

설치
$ install --globalskills.sh
사용법

설치 후 터미널에서 다음 명령을 실행하여 이 스킬을 사용할 수 있습니다:

skills use drugsda-drug-likeness