cakshat/MatSci-LLM-Agents
Agentic framework combining the power of LLMs with domain-specific tools for materials science, enabling property extraction, simulations, and crystal structure generation to accelerate innovative material design and analysis.
This project helps materials scientists and engineers automate complex materials analysis, simulation, and design tasks. You input natural language queries about materials properties or desired simulations. The system then integrates data from materials databases and runs specialized simulations to output detailed material properties, crystal structures, and simulation results.
No commits in the last 6 months.
Use this if you are a materials researcher or engineer looking to accelerate your workflow by automating data extraction, running simulations, or generating crystal structures using natural language prompts.
Not ideal if you need to run highly customized simulations that fall outside the scope of predefined tools or require deep manual intervention at each step.
Stars
13
Forks
1
Language
Jupyter Notebook
License
MIT
Category
Last pushed
May 01, 2025
Commits (30d)
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