Irfan Alibay

**User story** From the UGM discussions - how do we go about contributing datasets (refer to MDAnalysisData?) **Additional context** There already is a reference to MDAnalysisData, but as far as...

Add detailed Cirrus CI upload steps

1

#297 fixes a lot of the docs for deployment, but we need to add actual details on the things that need to be done to upload cirrus generated wheels.

Duplication of docs in analysis & examples

6

We are getting a lot of "duplicate label" issues when building the docs. Took me far too long to debug, but it turns out that the issue is that we...

document `assert_allclose` and `pytest.approx`

2

Since these are the favoured assertion methods for the core library, we should document these in `testing.rst`.

Have CI fail properly

1

There are things in the userguide build which _should_ have caused it to fail, for example #209 but somehow they just silently carried on. We need to investigate if we...

Deal with converters

1

Currently converters are partially dealt with under the umbrella of topology & coordinate parsers. However they are not completely dealt with properly, for example neither RDKit or OpenMM are covered...

The gh-pages roughly uses 6 GB of space, which is _a lot_ (I'm surprised github hasn't complained). We need to work out a way to avoid this becoming a problem.

Recommend assert_allclose instead of assert_almost_equal

1

See https://github.com/MDAnalysis/mdanalysis/pull/3425#discussion_r715923852 We probably should change our base recommendation in the userguide to use assert_allclose?

MDA on Colab example

2

**Is your feature request related to a problem? Please describe.** This year we've had a lot of GSoC students and newcomers to the project that have preferred to use Colab...

[WIP] Adding network edges

6

Work done in this PR: - [ ] Updated edge yaml format to solve #92 - [ ] Added actual MSTs generated using the Perses mapper + geometric score TODO:...