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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).

سورس دیکھیںcomputational-chemistry
SpectrAI-Initiative
maintainer
SpectrAI-Initiative
اپ ڈیٹ ہوا 4/2/2026
اسٹارز
371
فورکس
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).

انسٹالیشن
$ install --globalskills.sh
استعمال

انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:

skills use drugsda-drug-likeness