Add CMRAds200 adsorption energies benchmarks

[benshi97]

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Summary

New benchmark for 200 adsorption energies on transition metal surfaces.

Linked issue

Resolves #457

Progress

• Calculations
• Analysis
• Application
• Documentation

Testing

MACE-MP-0

New decorators/callbacks

[joehart2001]

Thanks for the PR @benshi97 and its looking great from a first look! something i noticed is the visualised structure shown when clicking on a scatter point is not the correct structure, so i've made some small code suggestions to fix this (its mainly saving the structures as numbers so we can sort them easier).

Data-wise, would you like us to upload your data to our s3 bucket or are you happy with keeping the downlaod linked to your github?

Also, would you be able to remove some of the additional files in the commit relating to e.g. S24 benchmark as well as the changes to the models.yml?

[benshi97]

@joehart2001, thank you very much for your quick review of my PR. I have now removed all the additional files and also incorporated your suggested code fixes! I'm also happy to keep the download link permanently to my Github.

[ElliottKasoar]

Why force=True?

I would usually discourage this since it means if you have no internet, this test becomes impossible to run, as well as generally slowing things down.

[ElliottKasoar]

Just to note this has conflicts with our main branch now, as we've merged other new surface tests, and git struggles to merge these automatically, so you could resolve this please?