data-router

Route data processing requests to dpdata, Open Babel, or Packmol sub-skills.

181|20|Updated Apr 29, 2026

Search Tags:#workflow #routing #data-processing #packmol #dpdata #openbabel

Ready to run

npx skills add https://github.com/Hello-QM/catgo-LRG --skill data-router-hello-qm

💬 Prompt for ChatGPT / Claude Chat▼

Please help me install this Agent Skill.
Skill: data-router
Source: https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/data
Command: npx skills add https://github.com/Hello-QM/catgo-LRG --skill data-router-hello-qm

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Route data processing requests to the correct sub-skill, enabling automatic delegation to the right tool in a heterogeneous data workflow.

Core Features & Use Cases

Routing to sub-skills: dpdata for format conversion, openbabel for format changes, and packmol for packing.
Workflow orchestration: coordinates inputs and outputs across tools to support end-to-end data preparation.
Use Case: A user submits a dataset requiring VASP outputs converted to DeePMD format and a separate task to generate a solvent box; the data-router dispatches each task to the appropriate sub-skill.

Quick Start

Provide a data-routing request to convert a dataset; the system will dispatch to the relevant sub-skill for execution.

Frequently Asked Questions about data-router

High-intent search queries and answers about installing and using this skill.

FAQPage Schema

How do I route VASP outputs to DeePMD format conversion in a molecular simulation workflow?▼

To route VASP outputs to DeePMD format conversion, this data processing router dispatches the request to the dpdata sub-skill, which handles the specific format transformation automatically.

Can I use Open Babel and Packmol together for simulation box generation and format changes?▼

Yes, you can use Open Babel and Packmol together. This router orchestrates the workflow by dispatching molecular format changes to Open Babel and box generation tasks to Packmol.

What is the best way to automate data preparation across heterogeneous data processing tools?▼

The best way to automate heterogeneous data preparation is using a routing engine that coordinates inputs and outputs, automatically dispatching tasks to the correct sub-skill for execution.

Does the data-router require specific dependencies to coordinate dpdata and Open Babel tasks?▼

No specific dependencies are required to use the data-router. It functions as a workflow coordinator that dispatches your data processing requests to the appropriate available sub-skills.

When do I need a workflow router for molecular format conversion and packing tasks?▼

You need a workflow router when you have a dataset requiring multiple distinct operations, such as converting VASP outputs to DeePMD format and generating a solvent box, to ensure proper task dispatch.