# aimmd

aimmd (AI for Molecular Mechanism Discovery) autonomously steers (a large number of) molecular dynamics simulations to efficiently sample and understand rare transition events.

```{include} ../../CITATIONS.md
```

## Get started

This section contains everything to get you started using aimmd.

```{toctree}
:maxdepth: 2
:caption: The Basics

get_started/installation
```

You might also want to have a look at the [example jupyter notebooks](example-notebooks) below.

## User guide

**TODO: This section does not exist yet! When it will be written it will provide more in-depth explanations on various topics, including some theoretic background and references for further reading.**

```{toctree}
:maxdepth: 2
:caption: User guide

aimmd.distributed <guide/distributed/overview>
```

## Community guide

The following section contains information on how to get help and/or report any issues encountered using aimmd as well as how to contribute code or documentation.

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

community/support
community/contributing
```

(example-notebooks)=
## Example notebooks

This section contains example jupyter notebooks (also included in the repository) on various topics.

```{toctree}
:maxdepth: 3
:caption: Example notebooks
:titlesonly:

Overview <examples_link/README>
```

----------------

```{toctree}
:maxdepth: 1
:caption: Module layout

module_layout_autosummary
```

```{toctree}
:maxdepth: 2
:caption: Changelog and Indices

include_changelog
modindex
genindex
```