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popelier-group / ichor

Computational Chemistry Data Management Library for Machine Learning Force Field Development
https://ichor.readthedocs.io/
MIT License
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Graph in GP example has no axis labels #59

Closed SJaffa closed 2 weeks ago

SJaffa commented 3 weeks ago

Describe the bug The example notebook in docs/source/ichor_core_examples/simple_gp.ipynb plits a graph showing good agreement between the traiing and test data but the axes are not labelled.

More description of the steps in the script would also be nice.

Expected behavior All graphs have labels and units on axes

Screenshots

Screenshot 2024-06-25 at 12 16 13
m-julian commented 2 weeks ago

Thanks for this! I have updated the notebook now to have references and more comments explaining what is happening. The updated notebook is up at https://ichor.readthedocs.io/en/latest/ichor_core_examples/simple_gp.html.

I've also added a link to the documentation on the side of the repo as you recommended, so it is easier to find.