Overview
This is a minor release of MDAnalysis.
This release supports NumPy 2.0+ and offers backwards compatibility through to NumPy 1.26.0
Supported Python versions:
- 3.11, 3.12, 3.13, 3.14
Major features & changes
See the CHANGELOG and our release blog post for more details.
- Support for
dtin XTC and TRR trajectories (PR #4908) - New parallelization support for the following analyses:
- Enable the selection of distance library backend in RDF analyses (PPR #5038)
- Improve the speed of the GROMOS11 reader (PR #5080)
- Improvements and refactoring of the RDKit inferring code (PR #4305)
- Support for position and velocity reading from TPR files (PR #4873)
- Support for non-linear time averaged MSD (PR #5066)
- Support for interactive MD stream reading using the IMDReader (PR #4923)
- Performance improvements to
InterRDF_s(PR #5073)
New Contributors
- @namiroues made their first contribution in #4941
- @lexi-x made their first contribution in #4987
- @BHM-Bob made their first contribution in #4961
- @yuyuan871111 made their first contribution in #5001
- @jpkrowe made their first contribution in #4995
- @TRY-ER made their first contribution in #5000
- @Abdulrahman-PROG made their first contribution in #4951
- @pbuslaev made their first contribution in #4908
- @tulga-rdn made their first contribution in #5007
- @Gareth-elliott made their first contribution in #5038
- @schuhmc made their first contribution in #5080
- @gitsirsha made their first contribution in #5066
- @Pradyumn-cloud made their first contribution in #5096
- @amruthesht made their first contribution in #4923
- @gitzhangch made their first contribution in #5073
- @raulloiscuns made their first contribution in #5053