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explainability: new module #44

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- Add proof of concept for Explainer class and explanation
  data structures to express explanations for feature
  vectors and molecules.
- Add Christian W. Feldmanns visualization code for shap
  weighted heatmaps of the molecular structure.

@JochenSiegWork JochenSiegWork marked this pull request as draft July 5, 2024 09:40
@JochenSiegWork JochenSiegWork self-assigned this Jul 5, 2024
@JochenSiegWork JochenSiegWork force-pushed the explainability_module branch 2 times, most recently from 9d236b9 to d6d880e Compare November 21, 2024 12:24
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