home/categories/scientific-computing/spectrai-initiative-innoclaw-claude-skills-drugsda-mol-properties-skill-md
scientific-computingresearch
drugsda-mol-properties
Calculate different types of molecular properties based on SMILES strings, covering basic physicochemical properties, hydrophobicity, hydrogen bonding capability, molecular complexity, topological structures, charge distribution, and custom complexity metrics, respectively.
maintainer
SpectrAI-Initiative
Обновлено 4/2/2026
Звёзды
371
Форки
23
quick start
Installation and usage
Calculate different types of molecular properties based on SMILES strings, covering basic physicochemical properties, hydrophobicity, hydrogen bonding capability, molecular complexity, topological structures, charge distribution, and custom complexity metrics, respectively.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use drugsda-mol-properties