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
Mis à jour 4/2/2026
Étoiles
18
Forks
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.
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use deepchem-circular-featurization