home/categories/scientific-computing/ma-compbio-lab-skillfoundry-skills-drug-discovery-and-cheminformatics-deepchem-circular-featurization-skill-md
scientific-computingresearch
deepchem-circular-featurization
Use this skill to compute compact DeepChem circular fingerprints from a small set of SMILES strings with the repo-managed DeepChem prefix. Do not use it for model training, docking, or large library screening.
maintainer
ma-compbio-lab
Обновлено 4/2/2026
Звёзды
18
Форки
2
quick start
Installation and usage
Use this skill to compute compact DeepChem circular fingerprints from a small set of SMILES strings with the repo-managed DeepChem prefix. Do not use it for model training, docking, or large library screening.
Установка
$ install --globalskills.sh
Использование
После установки вы можете использовать этот skill, выполнив следующую команду в терминале:
skills use deepchem-circular-featurization