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MDAnalysis is a Python library to analyze molecular dynamics simulations.

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## Expected behavior ## All ASV benchmarks for the latest develop run (see [benchmarks.benchmarks](https://github.com/MDAnalysis/mdanalysis/tree/develop/benchmarks/benchmarks) for the code and the [MDAnalysis/benchmarks](https://github.com/MDAnalysis/benchmarks) repo + the [benchmarks wiki](https://github.com/MDAnalysis/benchmarks/wiki) for more details.) ## Actual...

help wanted
performance
Continuous Integration
benchmarks

## Expected behavior ## All ASV benchmarks for the latest develop run (see [benchmarks.benchmarks](https://github.com/MDAnalysis/mdanalysis/tree/develop/benchmarks/benchmarks) for the code and the [MDAnalysis/benchmarks](https://github.com/MDAnalysis/benchmarks) repo + the [benchmarks wiki](https://github.com/MDAnalysis/benchmarks/wiki) for more details.) ## Actual...

help wanted
performance
Continuous Integration
benchmarks

## Expected behavior ## All ASV benchmarks for the latest develop run (see [benchmarks.benchmarks](https://github.com/MDAnalysis/mdanalysis/tree/develop/benchmarks/benchmarks) for the code and the [MDAnalysis/benchmarks](https://github.com/MDAnalysis/benchmarks) repo + the [benchmarks wiki](https://github.com/MDAnalysis/benchmarks/wiki) for more details.) ## Actual...

help wanted
performance
Continuous Integration
benchmarks

Follow-up on PR #1695, which included initial tests for distance based calculations. The comments noted a few issues * use of core.flags https://github.com/MDAnalysis/mdanalysis/pull/1695#discussion_r148338963 * clear separation of tests with and...

help wanted
performance
testing
PBC
benchmarks

It might be worth considering the use of simple performance benchmarks for the project over time -- I know that [airspeed velocity](https://github.com/spacetelescope/asv/) is commonly used for large python projects and...

maintainability
performance
benchmarks

Fixes #4563 Changes made in this Pull Request: - Creation of the `SugarSelection` class that allows the selection of sugars through the access of known PDB, CHARMM and GLYCAM abbreviations...

## Is your feature request related to a problem? ## Related to #4827: for MDAnalysis to function with live simulation streams, the `AnalysisBase` must be modified to account for a...

enhancement
Component-Analysis
streaming
decision needed

So with #363 we removed guessing of various things in Parsers (ie whilst reading the files) and deferred this guessing to be after Universe init. The guessing now needs to...

help wanted
topology-building
Component-Topology

#### Summary Dear MDAnalysis community, I would like to propose a new analysis routine that I have developed, `ResidenceTime`, for MDAnalysis. The routine would allow to analyze how long specific...

enhancement
Component-Analysis
proposal
MDAKit

In numpy 2.0+, the new dtype for strings in numpy are StringDType(). However, I don't believe MDAnalysis support this at all? Consider the following code: ``` import MDAnalysis as mda...

enhancement
Component-Core