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Jan8be committed Oct 30, 2024
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[![Build](https://github.com/Jan8be/metadynminer.py/actions/workflows/ci.yml/badge.svg)](https://github.com/Jan8be/metadynminer.py/actions/workflows/ci.yml)
[![PyPI - Downloads](https://img.shields.io/pypi/dm/metadynminer?label=PyPI%20downloads&color=green&link=https%3A%2F%2Fpypi.org%2Fproject%2Fmetadynminer%2F)](https://pypi.org/project/metadynminer/)
[![conda downloads](https://img.shields.io/conda/d/Jan8be/metadynminer?label=Conda%20total%20downloads&color=green&link=https%3A%2F%2Fanaconda.org%2FJan8be%2Fmetadynminer)](https://anaconda.org/Jan8be/metadynminer)

[![DOI](https://img.shields.io/badge/DOI-10.1093/bioinformatics/btae614-blue)](https://doi.org/10.1093/bioinformatics/btae614)

Metadynminer is a package designed to help you analyse output HILLS files from PLUMED metadynamics simulations.

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All built-in functions can be customized with many parameters. You can learn more about that in the [documentation](https://metadynreporter.cz/manual/index.html).
There are also other predefined functions allowing you to for example to enhance your presentation with animations of your 3D FES or remove a CV from existing FES.

We hope metadynminer.py will help you analyse your metadynamics results in an efficient and convenient way. If you use metadynminer in published work, please read and cite [our article](https://doi.org/10.1093/bioinformatics/btae614).

## Quickstart: run in Binder

Click the icon bellow and wait (couple of minutes) for the container to build and started on public [MyBinder](http://mybinder.org/).
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