mdadash 0.0.6

Dashboard for tracking and analyzing live MD simulations with streaming.

mdadash

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Dashboard for tracking and analyzing live MD simulations with streaming.

mdadash is bound by a Code of Conduct.

Getting Started

Installation

mdadash can be installed in any of the following ways depending on your Python environment:

pip install mdadash

or

uv add mdadash

or

conda install -c conda-forge mdadash

or

mamba install -c conda-forge mdadash

To execute directly from an isolated environment without installing:

uvx mdadash -h

Run

Once the package is installed, it can be run using the mdadash command to start the dashboard server:

mdadash --topology <topology_filename> --trajectory <trajectory_url>

Example:

mdadash --topology start.gro --trajectory imd://localhost:8889

To see a list of all the available options:

mdadash -h

$ mdadash -h
usage: mdadash [-h] --topology TOPOLOGY --trajectory TRAJECTORY [--state-file STATE_FILE] [--clear-alerts]
               [--dashboard-port DASHBOARD_PORT] [--dashboard-host DASHBOARD_HOST] [--log-level {DEBUG,INFO,WARNING,ERROR,CRITICAL}] [-v]

Start the MDA Dashboard server

options:
  -h, --help            show this help message and exit
  --topology TOPOLOGY   Topology filepath (required)
  --trajectory TRAJECTORY
                        Trajectory URL (of the form 'imd://host:port') (required)
  --state-file STATE_FILE
                        The dashboard state file (default: mdadash.state.json)
  --clear-alerts        Clear alerts if any from dashboard state
  --dashboard-port DASHBOARD_PORT
                        Port to run the dashboard server on (default: 8000)
  --dashboard-host DASHBOARD_HOST
                        Host address to bind dashboard server to (default: 127.0.0.1)
  --log-level {DEBUG,INFO,WARNING,ERROR,CRITICAL}
                        Set the logging level (default: INFO)
  -v, --version         Show the dashboard version and exit

Dashboard

The dashboard can be accessed by navigating to http://127.0.0.1:8000 from any browser.

Note: Both the dashboard host and post can be customized using the mdadash command line options.

Development

Developer instructions for this project can be found here.

Copyright

The mdadash source code is hosted at https://github.com/MDAnalysis/mdadash and is available under the MIT License (see the file LICENSE).

Copyright (c) 2026, MDAnalysis

Acknowledgements

Project based on the MDAnalysis Cookiecutter version 0.1. Please cite MDAnalysis when using mdadash in published work.