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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).

檢視原始碼computational-chemistry
SpectrAI-Initiative
maintainer
SpectrAI-Initiative
更新於 4/2/2026
星標
371
分支
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).

安裝
$ install --globalskills.sh
使用

安裝後，您可以透過在終端機執行以下指令來使用此技能：

skills use drugsda-drug-likeness