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Pull request overview
This PR updates the Transfer_Learning notebook to use a pre-computed image for demonstrating transfer learning effects, since achieving meaningful results requires extensive computation time. The changes include upgrading from BayBE version 0.13.0 to 0.14.2 and restructuring the notebook to focus on demonstrating the API rather than running full simulations.
Changes:
- Upgraded all notebooks from BayBE 0.13.0 to 0.14.2 and marimo 0.13.0 to 0.19.7
- Reworked the
Transfer_Learningnotebook to include a pre-computed results image and improved explanatory content - Removed example-specific requirements files, consolidating dependencies into a single
requirements.txt
Reviewed changes
Copilot reviewed 8 out of 11 changed files in this pull request and generated 4 comments.
Show a summary per file
| File | Description |
|---|---|
| notebooks/Transfer_Learning.py | Major rework: added pre-computed image display, restructured content flow, updated version references, and improved explanatory text about transfer learning analysis |
| notebooks/Reaction_Optimization.py | Updated version numbers and documentation links from 0.13.0 to 0.14.2, removed mode="MAX" parameter from targets |
| notebooks/Chemical_Encodings.py | Updated version numbers and documentation links, removed installation instructions, fixed typo in markdown |
| additional_requirements/Transfer_Learning_requirements.txt | Deleted file as dependencies are now consolidated |
| additional_requirements/Chemical_Encodings_requirements.txt | Deleted file as dependencies are now consolidated |
| README.md | Updated Python version from 3.10 to 3.13, revised installation instructions, clarified note about repository updates |
| CHANGELOG.md | Added entry documenting update from BayBE 0.13.0 to 0.14.2 |
| .github/workflows/ci.yml | Removed logic for installing example-specific requirements files |
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This PR reworks the
Transfer_Learningnotebook.Due to the long time necessary to get nice results for transfer learning, this notebook now uses a pre-computed image to demonstrate the effect.
It is based on #7 which should hence be merged first.