holland/repos/ALomnacy/docs/index.md -->
# ALomnacy Documentation

Welcome to ALomnacy - Modular Active Learning Workflows for Modern Computational Chemistry.

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

installation
quickstart
api/index
examples
contributing
```

## Overview

ALomnacy is a Python framework for running active learning (AL) workflows for training machine-learned inter-atomic potentials (MLIPs). This package focuses on customization and reproducibility to build robust training datasets and train MLIPs.

## Key Features

- 🚀 **Automated AL Workflows**: End-to-end active learning with minimal manual intervention
- 🔧 **HPC Integration**: Built-in support for remote job submission on HPC clusters
- ⚡ **Parallelization**: Ensures that jobs run concurrently where possible
- 🔄 **Extensible Design**: Abstract base classes for easy customization and extension
- 📊 **Analysis Tools**: Built-in utilities for monitoring and analyzing AL progress

## Indices and tables

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