https://github.com/uibcdf/openexplorer

https://github.com/uibcdf/openexplorer

Last synced: 2 months ago
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• Host: GitHub
• URL: https://github.com/uibcdf/openexplorer
• Owner: uibcdf
• License: other
• Created: 2020-07-24T00:10:32.000Z (almost 5 years ago)
• Default Branch: master
• Last Pushed: 2022-05-25T21:19:15.000Z (almost 3 years ago)
• Last Synced: 2025-01-23T03:14:08.437Z (4 months ago)
• Language: Python
• Size: 7.28 MB
• Stars: 0
• Watchers: 1
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Contributing: .github/CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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README

        
# OpenExplorer

[//]: # (Badges)

[![GitHub Actions Build Status](https://github.com/uibcdf/OpenExplorer/workflows/CI/badge.svg)](https://github.com/uibcdf/OpenExplorer/actions?query=workflow%3ACI)

[![codecov](https://codecov.io/gh/uibcdf/PyUnitWizard/branch/master/graph/badge.svg)](https://codecov.io/gh/uibcdf/OpenExplorer/branch/master)

[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)

OpenExplorer is an open source library to explore the conformational free energy landscape of molecular systems.

## License

This project is under an MIT License. [A copy of the license text is included in this repository](LICENSE).

### Copyright

Copyright (c) 2022 [The Mexico Children's Hospital Federico Gómez](http://himfg.com.mx/), [its Unit of Research on Computational

Biology and Drug Design](http://uibcdf.org), and [authors](https://github.com/uibcdf/OpenExplorer/graphs/contributors).

## Acknowledgements

Project based on the [Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.5.

## Contributors

A complete list of contributors can be found checking [the insights section of this

repository](https://github.com/uibcdf/OpenExplorer/graphs/contributors).

The main project authors and major contributors are:

- Liliana M. Moreno Vargas

- Diego Prada Gracia

- Roberto Velázquez Fuentes

## Installation

With the conda env activated:

```bash

python setup.py develop

```