ZimmermanGroup/py-conformational-sampling

portable interactive visualization

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  • look at panel documentation for how to run a dashboard over ssh -> https://panel.holoviz.org/how_to/server/ssh.html
  • comment out current logic that reboots bokeh server each time the cell containing the dashboard is rerun and make the panel app servable from outside of vscode
  • call visualization from dppe example
  • automatically compute forming bond torsion
  • set up an example that runs off of a sample output directory so that it doesn't require our full dataset to test
  • try running this example off of our computing cluster using the documentation
  • check that the visualization runs in a fresh environment like a codespace without any extra dependencies like jupyter spot checking and moving on to other high priority issues