Metadata-Version: 2.1
Name: md-lab-tools
Version: 0.0.0
Summary: Basic molecular dynamics tools
Author-email: Jakub Krajniak <jkrajniak@gmail.com>, Zidan Zhang <zidan.zhang@utexas.edu>
Classifier: Programming Language :: Python
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE.txt
Requires-Dist: numpy >=1.24
Requires-Dist: pandas >=2.0
Requires-Dist: networkx >=3.0
Requires-Dist: click >=8.0
Requires-Dist: h5py >=2.6

# lab-tools

This is a collection of tools for daily work in the lab. The main goal is to automate some boring tasks and make the work
with molecular dynamics simulations more efficient.

# Install

Just run

```shell
pip3 install git+https://github.com/jkrajniak/lab-tools.git
```

The main entry to the tools is `md_tools`, just type

```shell
md_tools --help
```

Content
==========

 - `scripts` - some more or less usefull scripts for daily work with HPC cluster, VOTCA or LaTeX ;-)
 - `examples` - some examples of input files
