mdadash

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Community License: MIT License Powered by MDAnalysis
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MDAnalysis Dashboard

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_or_file>

Examples:

Streaming:

mdadash --topology topology.tpr --trajectory imd://localhost:8889

File based trajectories:

mdadash --topology topology.tpr --trajectory trajectory.xtc

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 or file (Eg: 'imd://host:port' or trajectory.xtc) (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.

Setting --dashboard-host 0.0.0.0 will make the dashboard server accessible from any machine over the network.

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.

Project links

Data verified by PyPI on Aug 14, 2026
Data provided by the project maintainers, verified at the time the release was uploaded to PyPI.

Key dates

PyPI data
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  • Released:
Newer release available (0.1.0)

2 maintainers

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Avatar for jeremyleung521 from gravatar.com jeremyleung521 Avatar for PardhavMaradani from gravatar.com PardhavMaradani

Credits

Author/Maintainer: Pardhav Maradani

GitHub Statistics

Data verified by PyPI on Aug 14, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License expression

MIT
View SPDX License List

Requires

Python >=3.11

Provides Extra

dev test doc

Tags

streaming monitoring mdanalysis molecular-dynamics-simulations

Classifiers

Report project as malware

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