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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
Mis à jour 4/2/2026
Étoiles
371
Forks
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).
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use drugsda-drug-likeness