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Save model info #336

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Resolves #327

For model_path (or equivalent inputs e,g, model), this adds mlip_model as an info label when structures are output.

For strings and paths, this is fine. For already-loaded torch models, it's less clear what the best label is, so I'm open to alternatives.

This will also interact with any implementation of #240, but we can deal with that when we come to it.

@alinelena, was the suggested info['{arch}_{model}'] = model replacing info["arch"] or additional? To me it doesn't make sense to have "{arch}_model" as well as "arch", which is how I originally interpreted it, but perhaps it makes sense to combine them into a single info label, which I just realised may be what you meant.

@ElliottKasoar ElliottKasoar added the enhancement New/improved feature or request label Oct 22, 2024
janus_core/helpers/utils.py Outdated Show resolved Hide resolved
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add model info to extxyz
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