rdkit-molecular-descriptors

Name: rdkit-molecular-descriptors
Author: ma-compbio-lab

SKILLWorkflowcommunity

v0.0.0ma-compbio-labApache-2.0Updated 5mo agoSource →

Use this skill to compute compact cheminformatics descriptors from one SMILES string with RDKit. Do not use it for docking, quantum chemistry, or large library screening.

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5mo agoLast update

Skill

Authorma-compbio-lab

Version0.0.0

LicenseApache-2.0

CategoryWorkflow

Formatsskill.md

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About

Use this skill to compute compact cheminformatics descriptors from one SMILES string with RDKit. Do not use it for docking, quantum chemistry, or large library screening.

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