Updated Readme, Docstrings datasets and small additions notebook

[S-Thaler]

• Updated dataset statistic (preliminary) in Readme.md
• Added docstrings to datasetclasses, where missing (except DES and PubChemQC)
• Added a little more explanation to the usage notebook
• Added a few module and function docstrings

Additional fixes:

• isort problems after deleting src dir
• timeout problem when downloading large datasets

[S-Thaler]

The import formatting in my pre-commit setup seems to be off, I'll need to fix that on Monday...

[FNTwin]

Some changes or discussion required. Appreciated all the work.

[FNTwin]

The import formatting in my pre-commit setup seems to be off, I'll need to fix that on Monday...

It is probably because you added a docstring at the beginning of the files and most likely ruff or isort are complaining.
In any case i'll fix it in my branch so don't bother too much. Just check that you are running black>=24 and run:

ruff .
pre-commit run --all-files

[S-Thaler]

The import formatting in my pre-commit setup seems to be off, I'll need to fix that on Monday...

It is probably because you added a docstring at the beginning of the files and most likely ruff or isort are complaining.
In any case i'll fix it in my branch so don't bother too much. Just check that you are running black>=24 and run:

ruff .
pre-commit run --all-files

Seems to be some issue with isort. I'll leave it for now. pre-commit checks out locally for me.

[FNTwin]

Thank you for the help Stephan!