https://github.com/uibcdf/molecular-systems

UIBCDF test systems
https://github.com/uibcdf/molecular-systems

openmm

Last synced: 2 months ago
JSON representation

UIBCDF test systems

• Host: GitHub
• URL: https://github.com/uibcdf/molecular-systems
• Owner: uibcdf
• License: other
• Created: 2020-01-14T23:59:45.000Z (over 5 years ago)
• Default Branch: main
• Last Pushed: 2022-02-25T21:26:26.000Z (about 3 years ago)
• Last Synced: 2025-01-23T03:14:11.701Z (4 months ago)
• Topics: openmm
• Language: Python
• Homepage: https://www.uibcdf.org/Molecular-Systems
• Size: 52.3 MB
• Stars: 1
• Watchers: 2
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Contributing: .github/CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

Awesome Lists containing this project

README

        

# UIBCDF Molecular Systems

[//]: # (Badges)

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

[![codecov](https://codecov.io/gh/uibcdf/Molecular-Systems/branch/main/graph/badge.svg)](https://codecov.io/gh/uibcdf/Molecular-Systems/branch/main)

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

This open source library contains a set of molecular systems of interest for the UIBCDF.

They are ready to be simulated with OpenMM in your own workflow. Or if you prefer, you can take

advange of the tools here to run some fast tests or simulations.

## License

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

### Copyright

Copyright (c) 2020-2022 [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/Molecular-Systems/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/Molecular-Systems/graphs/contributors).

The main project authors and major contributors are:

- Liliana M. Moreno Vargas

- Diego Prada Gracia