jan-janssen/LangSim
Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
This tool helps computational chemists and materials scientists run complex simulations without needing to write intricate code or deeply understand obscure input files. You provide your research questions and parameters in plain English, and the system translates them into commands for scientific simulation tools, outputting calculated physical properties. It's designed for researchers who want to focus on science, not programming.
No commits in the last 6 months.
Use this if you are a computational scientist tired of struggling with cryptic input files and programming languages to run simulations, and prefer to interact with your tools using natural language.
Not ideal if you need to fine-tune low-level simulation parameters or implement entirely new simulation methods, as this tool abstracts away much of that complexity.
Stars
84
Forks
14
Language
Jupyter Notebook
License
BSD-3-Clause
Category
Last pushed
Jul 14, 2025
Commits (30d)
0
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