Lily Wang
Lily Wang
**Story:** *As a* user, *I want* to know how whether the analysis I have in mind is already implemented, how to use it, and how to possibly implement it myself,...
**Is your feature request related to a problem? Please describe.** [The examples in the cookbook](https://github.com/MDAnalysis/MDAnalysisCookbook/tree/master/examples) are useful but likely out of date. **Describe the solution you'd like** Add Jupyter tutorials...
**Is your feature request related to a problem? Please describe.** The ``lib`` module is important and should be documented. **Describe the solution you'd like** Pages on the ``lib`` code, probably...
**Is your feature request related to a problem? Please describe.** - Reviewing notebooks with git diffing is difficult - Jupyter does not automatically create kernels for conda or pip environments...
[An explicit example of salt bridge analysis.](https://groups.google.com/forum/?utm_medium=email&utm_source=footer#!topic/mdnalysis-discussion/isqHNXt_TTg)
**Story:** *As a* user, *I want* to write out select representative frames to a PDB file, *so that* I can mimic an ensemble of NMR structures. **Story:** *As a* GROMACS...
When creating an `OptimizationDataset`, I would expect `store_wavefunction` to get propagated into the generated QCSpecification. However, I don't think this is currently happening -- should it be? **Code** ```python from...
In various store_matches methods, parameter_handler.find_matches is called with default arguments. I want to do bad hacky things with Interchange and it'd be lovely if kwargs could be passed in. If...
Have you considered filtering data sets without converting to Pandas under the hood? It can be difficult to hold both in memory at the same time, especially as the dataframe...
Sometimes things take a really long time and a progress bar is hugely helpful in planning your day. Would you be interested in adding progress bars to loopy actions such...