cinnabar

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Package for consistent reporting of relative free energy results

cinnabar 최신버젼 다운로드

최종 버전 다운로드 (.zip)

// repository documentation

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# cinnabar (formerly Arsenic)

Issue: we _must_ report statistics consistently and we would _like_ to plot these results consistently too

Solution: The ``cinnabar`` package ensures a fair comparison of computational methods via robust and reproducible metrics implemented in the analysis functions following [standardized best practices](https://livecomsjournal.org/index.php/livecoms/article/view/v4i1e1497).
``cinnabar`` is designed with generality in mind, and can be used to analyse results from any free energy calculation software package.

## Installation

This package can be installed using `mamba`:

```shell
mamba install -c conda-forge cinnabar
```

## Getting started

To get started with ``cinnabar``, please see the [documentation](https://cinnabar.readthedocs.io/en/latest/).

### Copyright

#### Acknowledgements

Project based on the
[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.1.

cinnabar

cinnabar 최신버젼 다운로드

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