Fabian Zills

Maybe also related to #458

Will potentially be fixed by implementing https://pint.readthedocs.io/en/stable/ but this has not been decided yet.

@christophlohrmann is this resolved?

I would have some questions: > Add functionality for adding a hdf5 database directly into an MDSuite experiment What do you mean by that? > Exclude the memory scaling test...

I also think dask might be a good way to go - I'm just leaving https://www.tensorflow.org/guide/distributed_training here because in theory that would also be an option. I think we should...

One issue with the tf distribution is, that it is aimed at ML training based on keras. I don't know how flexible it is for our code.

They should all behave the same https://github.com/zincware/MDSuite/blob/8f55d267b514e89c6392388b6ae5335670a34459/mdsuite/experiment/run.py#L162-L237 but I do think that they should be changed to e.g. `-> Type[CoordinationNumbers]` actually.

I think in this context we should add some manual overwritting for the batching as well. For Example we have one person that wants to run the some MDSuite Job...

We could add some function to each calculator that has to be optimized and then investigate if this can be generalized. It might require some function to read all tested...

> Can you elaborate on the small systems seem to fail? There are value errors and the RDFs look sometimes different to what they should look like.