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Add SymmetrizedModel#119

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ppegolo wants to merge 76 commits intomainfrom
token_rotations
Draft

Add SymmetrizedModel#119
ppegolo wants to merge 76 commits intomainfrom
token_rotations

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@ppegolo ppegolo commented Nov 18, 2025

Add SymmetrizedModel wrapper to compute O(3) average and metrics for metatomic models.

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  • Tests updated (for new features and bugfixes)?
  • Documentation updated (for new features)?
  • Issue referenced (for PRs that solve an issue)?

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  • CHANGELOG updated with public API or any other important changes?

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ppegolo and others added 23 commits November 21, 2025 14:55
- Characters now are evaluated on cpu and streamed on gpu (usage now requires passing a model already on the desired device to the SymmetrizedModel class
- Removed anything with the name "features" from the evaluation of mean and variances in `_compute_mean_and_variance`
…er, and renamed _squared_norm in componentwise_norm_squared
…e energy and summed before doing the variance
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4 participants