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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.
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The MDAnalysis [Community](#community) is interested in all facets of **working
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with data in the computational molecular sciences**. We welcome everyone. **We all follow our
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[Code of Conduct] and strive to create an environment that is welcoming to
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all.** Our primary purpose is to produce software that scientists in academia and
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industry will trust to use in their research.
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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.
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We develop and maintain projects related to the broader goal of processing and
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analyzing data in the computational molecular sciences. We aim to empower users/developers to
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work with our packages following [FAIR principles]. Our central package is the
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[MDAnalysis library] for the analysis of computer simulations of many-body
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systems at the molecular scale.
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## Get Involved
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We believe that scientific software should be open to all while using best
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practices to maintain high standards of correctness and reproducibility. We
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emphasize educating our users to make best use of the tools that we produce, to
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enable them to become contributors to our community and code bases.
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-**Follow Our Code of Conduct:** We foster a welcoming, inclusive environment. Read our [Code of Conduct]({{ site.baseurl }}/conduct/) before participating.
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-**Join the Community:** Connect with other users, report issues, and contribute through multiple channels. Learn more on our [Community]({{ site.baseurl }}/pages/community/) page.
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-**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.
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-**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.
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-**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][].
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## Team & Leadership
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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.
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## Community
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Our governance structure ensures transparency and sustainability. See our [Governance]({{ site.baseurl }}/pages/governance/) and [Team]({{ site.baseurl }}/pages/team/) pages for more details.
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**MDAnalysis** is developed and maintained as a freely available, open-source
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project by a global community of scientists. The MDAnalysis community adheres
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to our [Code of Conduct]({{site.baseurl}}/pages/conduct/) and invites everyone
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to [participate]({{site.baseurl}}/#participating) --- be it on GitHub Discussions,
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through issue reports, or code contributions.
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All *contributors* to the MDAnalysis library and its subprojects are acknowledged
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in a file called `AUTHORS` in each source code repository and in the list of
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contributions; as examples see the [`AUTHORS` file for
[^1]: A [simple majority][] is defined as *more than half the votes
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cast*. Abstentions or blanks are excluded in calculating a
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majority vote. Totals do not include votes cast by someone not
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entitled to vote[^2] or improper multiple votes by a single
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member. Illegal votes[^3] are counted as votes cast;
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if only two choices (such as a binary "yes"/"no" vote) are
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possible, a majority vote is more "yes" than "no" votes.
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[^2]: See [MDAnalysis Core Developers](#mdanalysis-core-developers)
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for the list of *individuals entitled to vote*.
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[^3]: *Illegal votes* are votes that were cast for ineligible choices.
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### Code of Conduct
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Everyone in the MDAnalysis community adheres to our [Code of
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Conduct]({{site.baseurl}}/pages/conduct/). A rotating subset of three
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MDAnalysis Core Developers is tasked to respond to and to investigate
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[Code of Conduct]({{site.baseurl}}/pages/conduct/) violations.
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## Partners
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MDAnalysis is a [fiscally sponsored
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project]({{site.numfocus.sponsored_project}}) of [NumFOCUS][], a nonprofit
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dedicated to supporting the open source scientific computing
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community.
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If you like MDAnalysis and want to support our mission, please
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consider making a [donation]({{site.numfocus.donate}}) to support our
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efforts. NumFOCUS is a 501(c)(3) non-profit charity in the United
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States; as such, donations to NumFOCUS are tax-deductible as allowed
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by law. As with any donation, you should consult with your personal
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tax adviser or the IRS about your particular tax situation.
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{{ site.numfocus.donate_button }}
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## Funding
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We are grateful for financial support from the following organizations, which have supported MDAnalysis either through direct funding or indirectly by funding MDAnalysis contributors.
MDAnalysis has been supported by the [Essential Open Source for Science](https://chanzuckerberg.com/rfa/essential-open-source-software-for-science/) (EOSS) program from the CZI Donor-Advised Fund (DAF), an advised fund of Silicon Valley Community Foundation (funder DOI 10.13039/100014989)
The following technical writers were sponsored to work on MDAnalysis through the [Google Season of Docs](https://developers.google.com/season-of-docs) program.
Earlier work was partially supported by the NSF (as part of award ACI-1443054).
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- NSF DIBBS award, ACI-1443054 (**2014**): [CIF21 DIBBs: Middleware and High Performance Analytics Libraries for Scalable Data Science](https://www.nsf.gov/awardsearch/showAward?AWD_ID=1443054) (**MDAnalysis Personnel**: @orbeckst)
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The following students were sponsored to work on MDAnalysis through the [NSF Research Experience for Undergraduates](https://www.nsf.gov/crssprgm/reu/) (REU) program.
MDAnalysis thanks NumFOCUS for its continued support as our fiscal sponsor, as well as through its [Small Development Grants](https://numfocus.org/programs/small-development-grants) (SDG) program.
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- SDG Round 3 (**2024**): Customizable and automated scientific molecular rendering with Molecular Nodes (**Personnel**: @yuxuanzhuang, @BradyAJohnston)
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- SDG Round 2 (**2023**): Unified and comprehensive documentation and learning resources for MDAnalysis (**Personnel**: @IAlibay, @jennaswa, @lilyminium, @micaela-matta, @orbeckst)
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- SDG Round 2 (**2022**): Improving the organization and content of MDAnalysis teaching materials (**Personnel**: @micaela-matta, @pgbarletta)
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- SDG Round 1 (**2020**): Periodic boundary handling and on the fly transformations
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- SDG Round 2 (**2018**): MDAnalysis tutorial and hackathon
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- SDG Round 1 (**2017**): Widening platform availability for MDAnalysis: Full Python 3 Support
The following contributors were sponsored to work on MDAnalysis through the [Outreachy](https://www.outreachy.org/) program.
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-**2024**: @adetutudeborah
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-**2022**: @umak1106
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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.
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### [Station1](https://www.station1.org/)
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See our [Funding]({{ site.baseurl }}/pages/funding/) page for more details on our **funding sources and how you can support MDAnalysis**.
The following contributors were sponsored to work on MDAnalysis through the [Station1 Frontiers Fellowship](https://www.station1.org/sff) program.
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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.
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-**2023**: @jong9559, @KarenBekhazi
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MDAnalysis is:
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<divstyle="clear: both"></div>
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-**Easy to install**— Available via `pip`, `conda/mamba` and `conda-forge`.
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-**Openly developed**— The [source code]({{ site.github.repo }}) is hosted on GitHub.
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-**Regularly updated**— Official releases are distributed via [PyPI][].
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## Feedback
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For full installation instructions and setup guides, visit our [Getting Started]({{ site.baseurl }}/pages/getting_started/) page.
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MDAnalysis welcomes feedback for improvement from its users and community. If you have any general feedback or comments to make about MDAnalysis, the community, events, or other aspects, please [let us know in this form here](https://forms.gle/n8GLe2QsL2hW2QiDA)!
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------
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[Code of Conduct]: {{ site.baseurl }}/pages/conduct/
The MDAnalysis community is interested in all facets of **working
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with data in the computational molecular sciences**. We welcome everyone. **We all follow our
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[Code of Conduct]({{ site.baseurl }}/conduct/) and strive to create an environment that is welcoming to all.** Our primary purpose is to produce software that scientists in academia and industry will trust to use in their research.
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+
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We develop and maintain projects related to the broader goal of processing and
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analyzing data in the computational molecular sciences. We aim to empower users/developers to
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+
work with our packages following [FAIR principles][]. Our central package is the
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+
[MDAnalysis library]({{ site.github.repo }}) for the analysis of computer simulations of many-body
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systems at the molecular scale.
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+
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We believe that scientific software should be open to all while using best
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+
practices to maintain high standards of correctness and reproducibility. We
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+
emphasize educating our users to make best use of the tools that we produce, to
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+
enable them to become contributors to our community and code bases.
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