About MDAnalysis

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 guides our efforts in developing robust tools, fostering an inclusive community, and supporting scientists worldwide.

Get Involved

• Follow Our Code of Conduct: We foster a welcoming, inclusive environment. Read our Code of Conduct before participating.
• Join the Community: Connect with other users, report issues, and contribute through multiple channels. Learn more on our 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 or join a 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 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.

Team & Leadership

MDAnalysis is maintained by the 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 and Team pages for more details.

Funding & Sponsors

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 page for more details on our funding sources and how you can support MDAnalysis.

Open Source & Availability

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 and conda-forge.
• Openly developed — The source code is hosted on GitHub.
• Regularly updated — Official releases are distributed via PyPI.

For full installation instructions and setup guides, visit our Getting Started page.