# LAMMPS-AST

**LAMMPS-AST** is a toolset for parsing, analyzing, and processing LAMMPS scripts using an Abstract Syntax Tree (AST) representation. It utilizes [Lark](https://github.com/lark-parser/lark) for parsing LAMMPS input files and provides scripts that leverage Large Language Models (LLMs) for interpreting, modifying, and generating LAMMPS scripts.

## Features

- **LAMMPS AST Parsing**: Uses Lark to generate ASTs from LAMMPS scripts.
- **Example Scripts**: Includes sample usage for different LLM models and prompts.

## Installation

### Clone the Repository

```bash
conda create -n Last_env python=3.11

pip install lammps_ast
conda install graphviz


