Towards MDAnalysis 3.0

[Project Manager MDAnalysis]

Dear MDAnalysis users and developers,

We are excited to share the roadmap for MDAnalysis 3.0! Following discussions from the MDAnalysis UGM, we outline proposed priorities for MDAnalysis. Some highlights include:

• Trimming down the core library by migrating specialized analysis modules to MDAKits
• Enhancing (1) interoperability,  (2) scientifically aware operations, (3) streaming and cloud storage support, and (4) parallelism and performance
• User facing API changes
• Formalizing organizational roles and responsibilities

We welcome feedback from all MDAnalysis ⁠users and ⁠developers, and look forward to discussing these future plans on Discord or the user and developer mailing lists.

We are also looking for community members who are interested in maintaining an MDAKit. If there is a particular module that is important for your research, get in contact with us; we would be happy to teach you the basics of package maintenance, and the molecular simulation community would be grateful to you for your service!

 

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Project, Community and Outreach Manager
MDAnalysis * https://www.mdanalysis.org/

a fiscally sponsored project of NumFOCUS

GitHub: https://github.com/MDAnalysis

Twitter: @mdanalysis

LinkedIn: https://linkedin.com/company/mdanalysis