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Add k-fold cross-validation support and tutorial #448

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f2923a2
kfold cross validation tutorial and code
ekchun Aug 6, 2026
0fb68b8
kfold cv metrics methods update
ekchun Aug 13, 2026
8dc111c
cleaned kfold tut + graph colors
ekchun Sep 8, 2026
3a05968
multitask scaffold split compatibility w kfold
ekchun Sep 8, 2026
c295f3c
add import typing
ekchun Sep 10, 2026
42fea1a
update kfold tutorial explanations
paulsonak Oct 12, 2026
ffa1523
ruff --fix ran locally
paulsonak Oct 12, 2026
4ebd348
applied paulsonak comments
ekchun Oct 15, 2026
d7eb2d3
Fix badge links in README.md
paulsonak Oct 15, 2026
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2 changes: 1 addition & 1 deletion README.md
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[![Develop test](https://github.com/ATOMScience-org/AMPL/actions/workflows/pytest.yml/badge.svg)](https://github.com/ATOMScience-org/AMPL/actions/workflows/pytest.yml) [![Linter](https://github.com/ATOMScience-org/AMPL/actions/workflows/lint.yml/badge.svg)](https://github.com/ATOMScience-org/AMPL/actions/workflows/lint.yml) [![Documentation Status](https://readthedocs.org/projects/ampl/badge/?version=stable)](https://ampl.readthedocs.io/en/latest/?badge=stable)
[![codecov](https://codecov.io/gh/ATOMScience-org/AMPL/graph/badge.svg)](https://codecov.io/gh/ATOMScience-org/AMPL)

![GitHub Release](https://img.shields.io/github/v/release/ATOMScience-org/AMPL) [![License](http://img.shields.io/:license-mit-blue.svg)](https://github.com/ATOMScience-org/AMPL/blob/master/LICENSE) [![LinkedIn](https://custom-icon-badges.demolab.com/badge/LinkedIn-0A66C2?logo=linkedin-white&logoColor=fff)](https://www.linkedin.com/company/atomscience) [![YouTube](https://img.shields.io/badge/YouTube-%23FF0000.svg?logo=YouTube&logoColor=white)](https://www.youtube.com/channel/UCOF6zZ7ltGwopYCoOGIFM-w) [![DOI](https://zenodo.org/badge/220339090.svg)](https://doi.org/10.5281/zenodo.20802004)
![GitHub Release](https://img.shields.io/github/v/release/ATOMScience-org/AMPL) [![License](http://img.shields.io/:license-mit-blue.svg)](https://github.com/ATOMScience-org/AMPL/blob/master/LICENSE) [![LinkedIn](https://custom-icon-badges.demolab.com/badge/LinkedIn-0A66C2?logo=linkedin-white&logoColor=fff)](https://www.linkedin.com/company/atomscience) [![YouTube](https://img.shields.io/badge/YouTube-%23FF0000.svg?logo=YouTube&logoColor=white)](https://www.youtube.com/channel/UCOF6zZ7ltGwopYCoOGIFM-w) [![DOI]([https://img.shields.io/badge/DOI-10.5281%2Fzenodo-blue.svg)](https://doi.org/10.5281/zenodo.20802004)

| [Install](#install) | [Docker](#install-with-docker) | [Tutorials](#ampl-tutorials) | [Features](#ampl-features) | [Pipeline parameters](atomsci/ddm/docs/PARAMETERS.md) | [Docs](https://ampl.readthedocs.io/en/latest/) |

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1,414 changes: 1,414 additions & 0 deletions atomsci/ddm/examples/tutorials/09_kfold_cross_validation.ipynb
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