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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).
maintainer
SpectrAI-Initiative
آخر تحديث 4/2/2026
النجوم
371
التفرعات
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).
التثبيت
$ install --globalskills.sh
الاستخدام
بعد التثبيت، يمكنك استخدام هذه المهارة بتشغيل الأمر التالي في الطرفية:
skills use drugsda-drug-likeness