home/categories/computational-chemistry/internscience-scp-skills-molecular-descriptors-calculation-skill-md
computational-chemistryresearch
molecular-descriptors-calculation
Calculate advanced molecular descriptors including shape indices, connectivity indices, and structural features for QSAR and drug discovery.
maintainer
InternScience
Updated 2/27/2026
Stars
129
Forks
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
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use molecular-descriptors-calculation