semvec/pypi-packages huggingface dataset:
mdsb 0.0.1
MDSB — Molecular Dynamics Simulations of Biomolecules (placeholder pre-release).
License: MIT
Requires Python: >=3.13
Keywords: biomolecules, computational-chemistry, drug-discovery, md, molecular-dynamics, simulation, trajectory-analysis

# 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