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RegressionData dataclass #132

Merged
merged 7 commits into from
Jul 28, 2021
Merged

RegressionData dataclass #132

merged 7 commits into from
Jul 28, 2021

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lbluque
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@lbluque lbluque commented Jul 28, 2021

Summary

  • Implemented a v lightweight dataclass RegressionData to store regression model details in ClusterExpansion objects.
  • Includes a convenience method to create from a scikit-learn or compatible object.
    This will greatly improve keeping track of provenance and details for reproducibility of cluster expansions.

Additional dependencies introduced (if any)

TODO (if any)

Checklist

@lbluque lbluque merged commit 37a66a4 into CederGroupHub:master Jul 28, 2021
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