basf / MolPipeline

MIT License
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add new explainability module #15

Closed JochenSiegWork closed 2 months ago

JochenSiegWork commented 3 months ago
- 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.
- Add helper class SubpipelineExtractor to get certain
  parts of an existing Pipeline.