Fabian Zills

## TODOs - [ ] menu to select which quantity to visualize, e.g. forces / predicted forces - [ ] fix issue with arrows not being displayed upon keypress but...

what if a particle is selected in multiple groups, one is visible the other not?

There is now some Python code that can be unit tested. In general tests for the UI would be great but I don't know how to approach them.

 Imagine a plot like these, where you can click on the point and the force vector is highlighted.

test mybinder/colab

1

it is currently not working in colab or mybinder. Connection refused?

Draw a sphere with radius r around a particle

1

Feature to visualize the descriptor cutoff for ML - [x] single sphere - [ ] multiple smaller spheres for message passing

When using the drawing tool, it would be nice to be able to select all particles inside the manifold. E.g. reverse + remove/change color for visualising receptive fields of MLPs

Remove linters from package dependency

1

Would it be possible to move the code formatting tools to a dedicated poetry group such as `[tool.poetry.group.dev.dependencies]` or are they required for the package to work? https://github.com/koxudaxi/datamodel-code-generator/blob/28be37d7c2a0b0bce21b0719ffb732df36ebce74/pyproject.toml#L54-L55