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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).

Ver código fuentecomputational-chemistry
SpectrAI-Initiative
maintainer
SpectrAI-Initiative
Actualizado 4/2/2026
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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).

Instalación
$ install --globalskills.sh
Uso

Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:

skills use drugsda-drug-likeness