calcraven / gmso_plotly_visualization

Take any General Molecular Simulation Object (GMSO) and create an interactive visualization.

GMSO Plotly Visualization

The repository contains workflows to create an interactive visualization from any General Molecular Simulation Object (GMSO).

For further information visit the gmso documentation at https://gmso.mosdef.org.

Contents:

1. Plotly_Dash_Demo.ipynb: Demos conversion to and visualization of gmso objects.
2. demo_utils.py: Functions to assist in conversion to plotly dicts.

Usage

Clone this repository and create a new conda environment from the file environment.yml and start jupyter.

$ git clone https://github.com/calcraven/gmso_plotly_visualization && cd gmso_plotly_visualization
$ conda env create --file environment.yml
$ jupyter notebook

Alternatively, you can directly launch this repository in MyBinder.