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
InternScience
Mis à jour 2/27/2026
Étoiles
129
Forks
7
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