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About MDAnalysis |
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MDAnalysis is an open-source project dedicated to advancing molecular dynamics analysis through a robust software library, an active community, and sustainable governance. Our tools enable high-performance, reproducible computational studies supporting researchers across academia and industry.
The MDAnalysis Project is committed to open-source, reproducible computational research. Our [Mission]({{ site.baseurl }}/mission/) guides our efforts in developing robust tools, fostering an inclusive community, and supporting scientists worldwide.
- Follow Our Code of Conduct: We foster a welcoming, inclusive environment. Read our [Code of Conduct]({{ site.baseurl }}/conduct/) before participating.
- Join the Community: Connect with other users, report issues, and contribute through multiple channels. Learn more on our [Community]({{ site.baseurl }}/pages/community/) page.
- Contribute: Whether through coding, documentation, community support, or event organization, you can help shape the MDAnalysis ecosystem. Get started with our [Contributing Guide]({{ site.baseurl }}/pages/contribute/) or [join a team]({{ site.baseurl }}/pages/team/) to support specific initiatives.
- Support MDAnalysis: MDAnalysis relies on grants, sponsorships, and donations to sustain development and community events. Your support helps fund maintenance, development, UGMs (User Group Meetings), workshops, and more. Learn more on our [Funding]({{ site.baseurl }}/pages/funding/) page.
- Share your Feedback: MDAnalysis welcomes feedback for improvement from its users and community. Share your thoughts on MDAnalysis, the community, or events by filling out this feedback form.
MDAnalysis is maintained by the [Core Developers]({{ site.baseurl }}/pages/governance/#mdanalysis-core-developers) who lead the project and make key decisions regarding its development. Past contributors who've stepped back become Emeriti Core Developers.
Our governance structure ensures transparency and sustainability. See our [Governance]({{ site.baseurl }}/pages/governance/) and [Team]({{ site.baseurl }}/pages/team/) pages for more details.
MDAnalysis is a fiscally-sponsored project of NumFOCUS. We are also supported by grants, sponsorships, and community contributions that play key roles in supporting our development.
See our [Funding]({{ site.baseurl }}/pages/funding/) page for more details on our funding sources and how you can support MDAnalysis.
MDAnalysis is released under the GNU Lesser General Public License, version 2.1 or later (LGPLv2.1+). This ensures that our tools remain accessible, transparent, and reproducible for molecular dynamics research. Some supporting libraries use the MIT or BSD-3 licenses.
MDAnalysis is:
- Easy to install — Available via
pip
,conda/mamba
andconda-forge
. - Openly developed — The [source code]({{ site.github.repo }}) is hosted on GitHub.
- Regularly updated — Official releases are distributed via PyPI.
For full installation instructions and setup guides, visit our [Getting Started]({{ site.baseurl }}/pages/getting_started/) page.