# MDSB

**MDSB** (Molecular Dynamics Simulations of Biomolecules) is a Python toolkit for **molecular dynamics (MD) simulations**, **biomolecular modeling**, and **trajectory analysis**.

> This is an initial placeholder release to reserve the project name and provide a minimal, working CLI.  
> Roadmap: system setup, parameterization pipelines, simulation runners, and advanced analysis modules.

## Install
```bash
pip install mdsb

