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molecular-descriptors-calculation

Calculate advanced molecular descriptors including shape indices, connectivity indices, and structural features for QSAR and drug discovery.

InternScience
maintainer
InternScience
Mis à jour 2/27/2026
Étoiles
129
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7
quick start

Installation and usage

Calculate advanced molecular descriptors including shape indices, connectivity indices, and structural features for QSAR and drug discovery.

Installation
$ install --globalskills.sh
Utilisation

Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :

skills use molecular-descriptors-calculation