Fabian Zills

when using `zndraw --url` this raises an exception because sometimes it receives `None`

## 🚀 Feature I am using AIM together with some third-party visualisation tool. For each aim run, there exists an `https://zndraw.domain.com/token/` which I'd like to make more accesible from the...

Add MLIP Tutorial

11

Add a Tutorial on Machine-Learning Interatomic Potentials This tutorial requires some additional tools: - https://github.com/ACEsuit/mace - https://github.com/zincware/rdkit2ase - https://github.com/m3g/packmol (`^20.15.0`) - https://github.com/zincware/ZnDraw/releases/tag/v0.4.7 or newer

bump `zndraw` version

4

For the MLIP https://github.com/espressomd/espresso/pull/498 tutorial we need https://github.com/zincware/ZnDraw/releases/tag/v0.4.7 to visualize the energies alongside the system.

Can not install package in CI

4

### Description All my poetry projects CI fails with the latest release. They are using ```yaml steps: - uses: actions/checkout@v4 - name: Set up Python ${{ matrix.python-version }} uses: actions/setup-python@v5...

e.g. ``` itp_files: t.Sequence[str | pathlib.Path | None] = zntrack.deps_path( default_factory=list ) ```

Store the input lock in `node-meta.json` so we can use this information to semi-"validate" the correct node outputs, without hashing the files.

rich `zntrack list`

2

- [ ] remove old, unused code - [ ] check performance (bad!) - [ ] save the parameters into to node-meta.json, e.g. as a lock file. Could also contain...

fix `outs_path` in `deps_path`

2

It should either be possible to pass `x_path` to `deps` OR to `deps_path`. Being able to use both might not be desireable. Can we just check if `isinstance(deps, znflow.Connection)` and...