MatCreator

MatCreator is an agentic AI platform for computational materials science. It helps researchers build workflows, generate structures, run simulations, and accumulate reusable skills through a long-lived knowledge graph.

Documentation Map

• Getting Started: install MatCreator, configure LLM credentials, and run the first CLI or web session.
• Overview: understand the MatCreator harness architecture and runtime flow.
• Deployment: run MatCreator as a personal application or deploy it as a shared server.
• Knowledge: learn how MatCreator stores skills, guides, working memory, and distilled knowledge.

Core Capabilities

• Agentic workflow planning for computational materials tasks
• Interactive CLI access with matcreator chat
• A web interface for graph visualization and artifact management
• Modular skills for simulation, structure generation, analysis, and workflow automation
• Persistent configuration and memory under ~/.matcreator

Local Documentation Preview

Install the documentation dependencies and start the local preview server:

pip install -r docs/requirements.txt
mkdocs serve

The site is served at http://127.0.0.1:8000 by default.