# Atom-HiFi

**Atom**istic **Hi**gh-**Fi**delity representative-set selection framework.

Atom-HiFi finds the smallest subset **S** of a structure library that achieves
high **Fidelity = L / R** — S covers the library's atomic-environment diversity
(high Likeness **L**) without redundancy (low Redundancy **R**). It is agnostic
to the downstream task: MLIP training-set curation, active-learning loops,
chemical-motif analysis, and diversity-aware sampling from large databases.

This wiki is generated with Sphinx. The narrative pages reuse the project's
canonical Markdown sources (`README.md`, `CONTEXT.md`); the
{doc}`API reference <api/index>` is generated from the in-code docstrings.
ADRs stay local-only and are not published here.

```{toctree}
:maxdepth: 2
:caption: Guide

overview
configuration
hdbscan_deployment
hdbscan_validation
cli
experimental_temporal
```

```{toctree}
:maxdepth: 2
:caption: Reference

api/index
```

## Indices

- {ref}`genindex`
- {ref}`modindex`
- {ref}`search`