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catgo-campaign

Orchestrate computational campaign steps with the catgo CLI across local and HPC environments.

181|20|Updated Apr 29, 2026
Search Tags:#automation#workflow#hpc#campaign#md#high-throughput#materials-science
One-click install
npx skills add https://github.com/Hello-QM/catgo-LRG --skill catgo-campaign
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: catgo-campaign
Source: https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/catgo-campaign
Command: npx skills add https://github.com/Hello-QM/catgo-LRG --skill catgo-campaign

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Coordinating end-to-end computational campaigns is challenging: it requires managing multiple steps, keeping inputs aligned, gating submissions, and ensuring reproducible results across local and HPC environments.

Core Features & Use Cases

  • Scaffold and plan campaigns using a file-first md-orchestration workflow.
  • Drive submission, polling, aggregation, and reporting across calc stages, supporting high-throughput screening and agent-in-the-loop studies.
  • Use cases include SAA/her screening pipelines, multi-step materials studies, and reproducible campaign archiving.

Quick Start

Invoke the catgo campaign CLI to scaffold a project, plan steps, submit calculations, and generate a final report.

Frequently Asked Questions about catgo-campaign

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

FAQPage Schema
How do I automate high-throughput MD campaigns across local and HPC environments?▼

You can automate high-throughput MD campaigns by orchestrating multiple calculations, analyses, and reporting within a file-first workflow that coordinates planning, submission, monitoring, and analysis across local and HPC environments.

What is a file-first workflow for computational materials science studies?▼

A file-first workflow uses markdown-tree orchestration and gated inputs to manage computational campaigns, reinforcing safety and reproducibility by driving submission, polling, aggregation, and reporting across calculation stages.

Do I need the catgo CLI installed to run high-throughput screening pipelines?▼

Yes, running high-throughput screening pipelines requires the catgo CLI to be available on your PATH, as it is used to invoke the commands that scaffold projects, plan steps, and submit calculations.

How do I scaffold and plan multi-step materials studies for reproducible archiving?▼

You scaffold and plan multi-step materials studies by invoking the campaign CLI to generate a project structure, which then drives submission, polling, and aggregation for reproducible campaign archiving.

Can I use this workflow to manage agent-in-the-loop computational campaigns?▼

Yes, the workflow supports agent-in-the-loop studies by coordinating end-to-end computational campaigns, allowing an agent to drive submission, monitor calculations, and aggregate results across calculation stages.

What's the best way to ensure reproducible results when submitting multiple HPC calculations?▼

To ensure reproducible results when submitting HPC calculations, use gated inputs and reference scripts within a file-first markdown-tree workflow that aligns inputs and manages submissions across calculation stages.

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