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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).

ソースを表示computational-chemistry
SpectrAI-Initiative
maintainer
SpectrAI-Initiative
更新日 4/2/2026
スター
371
フォーク
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).

インストール
$ install --globalskills.sh
使い方

インストール後、ターミナルで以下のコマンドを実行してこのスキルを使用できます：

skills use drugsda-drug-likeness