๐ŸŽฏ

simulation-orchestrator

๐ŸŽฏSkill

from heshamfs/materials-simulation-skills

VibeIndex|
What it does

Manages and coordinates computational simulation campaigns by executing parameter sweeps, tracking simulation runs, and aggregating results across multiple computational experiments.

๐Ÿ“ฆ

Part of

heshamfs/materials-simulation-skills(6 items)

simulation-orchestrator

Installation

PythonRun Python server
python3 -m unittest discover -s tests
๐Ÿ“– Extracted from docs: heshamfs/materials-simulation-skills
2Installs
-
AddedFeb 4, 2026

Skill Details

SKILL.md

Overview

# materials-simulation-skills

Open-source Agent Skills for computational materials science and numerical

simulation workflows.

What are skills?

Skills are folders of instructions, scripts, and resources that agents can

discover and use. Write once, use everywhere.

Each skill includes:

  • SKILL.md with YAML frontmatter (name + description) and instructions
  • scripts/ for deterministic workflows
  • references/ for domain details loaded on demand

The agent discovers skills by name/description and loads the SKILL.md only

when the skill triggers. Scripts are executed directly for reliability.

What's included

Core Numerical Skills (`skills/core-numerical/`)

| Skill | Description |

|-------|-------------|

| numerical-stability | CFL analysis, von Neumann stability, stiffness detection |

| numerical-integration | Integrator selection, error norms, adaptive stepping |

| linear-solvers | Solver selection, preconditioner advice, convergence diagnostics |

| nonlinear-solvers | Newton/quasi-Newton selection, convergence diagnostics, globalization strategies |

| time-stepping | Time step planning, output scheduling, checkpointing |

| differentiation-schemes | Scheme selection, stencil generation, truncation error |

| mesh-generation | Grid sizing, mesh quality metrics |

Simulation Workflow Skills (`skills/simulation-workflow/`)

| Skill | Description |

|-------|-------------|

| simulation-validator | Pre-flight checks, runtime monitoring, post-flight validation |

| parameter-optimization | DOE sampling, optimizer selection, sensitivity analysis |

| simulation-orchestrator | Parameter sweeps, campaign management, result aggregation |

| post-processing | Field extraction, time series analysis, statistics, derived quantities |

| performance-profiling | Timing analysis, scaling studies, memory profiling, bottleneck detection |

Additional Resources

  • Examples for each skill in examples/
  • Comprehensive unit and integration tests in tests/
  • CI/CD pipeline for cross-platform testing (Python 3.10-3.12)

Using the skills

  1. Mention the skill by name in your request, or ask a task that matches its

description.

  1. Run the scripts directly for reproducible outputs.
  2. Optionally install skills into your agent's global skills directory for

reuse across projects.

Example:

```text

Use numerical-stability to check a proposed dt for my phase-field run.

```

Compatibility

This repo follows the Agent Skills standard, originating with [Anthropic](https://anthropic.com),

and is designed to work with Claude Code, Codex-style agents, and any tool that

supports SKILL.md-based skills.

Quick start

Run the full test suite:

```bash

python3 -m unittest discover -s tests

```

Browse and run examples:

```bash

cat examples/README.md

```

Repository layout

```

skills/ # Skill packages (SKILL.md, scripts, references)

examples/ # Runnable CLI examples

tests/ # Unit + integration tests

```

Acknowledgements

  • Agent Skills standard: https://agentskills.io
  • Reference implementation: https://github.com/agentskills/agentskills