Metadata-Version: 2.4
Name: dara-xrd
Version: 1.1.8
Summary: Data-driven automated Rietveld analysis using BGMN.
Author-email: Yuxing Fei <yuxingfei@berkeley.edu>, Matthew McDermott <mcdermott@lbl.gov>
License-Expression: MIT
Project-URL: homepage, https://github.com/idocx/dara
Project-URL: documentation, https://idocx.github.io/dara/
Keywords: rietveld,search-match,crystallography,xrd,bgmn,x-ray
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Classifier: Programming Language :: Python :: 3.12
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Classifier: Topic :: Software Development :: Libraries :: Python Modules
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Dynamic: license-file

![DARA logo](https://github.com/idocx/dara/blob/main/logo/dara.jpg?raw=true)

# DARA: Data-driven automated Rietveld analysis for phase search and refinement
[![GitHub licence](https://img.shields.io/github/license/idocx/dara)](https://github.com/idocx/dara/blob/main/LICENSE)
[![arXiv:2510.19667](https://img.shields.io/badge/arXiv-2510.19667-b31b1b?logo=arXiv&logoColor=white)](https://arxiv.org/abs/2510.19667)
[![Pytest](https://github.com/idocx/dara/actions/workflows/pytest.yaml/badge.svg?branch=main)](https://github.com/idocx/dara/actions/workflows/pytest.yaml)
[![Ruff Check](https://github.com/idocx/dara/actions/workflows/ruff.yaml/badge.svg?branch=main)](https://github.com/idocx/dara/actions/workflows/ruff.yaml)

Automated phase search with BGMN.
## Installation
```bash
pip install dara-xrd
```

For more details about installation, please refer to [installation guide](https://idocx.github.io/dara/install.html).

## Web Server
Dara ships with a browser-based web server for an out-of-box experience of Dara. To launch the webserver, run
```bash
dara server
```

Then you can open http://localhost:8898 to see an application that can submit, manage, and view jobs.


## Documentation
For more details about usage, please refer to the [documentation](https://idocx.github.io/dara/).

## Citation
If you use DARA in your research, please consider citing the following paper:

```
@article{doi:10.1021/acs.chemmater.5c02820,
  author = {Fei, Yuxing and McDermott, Matthew J. and Rom, Christopher L. and Wang, Shilong and Ceder, Gerbrand},
  title = {Dara: Automated Multiple-Hypothesis Phase Identification and Refinement from Powder X-ray Diffraction},
  journal = {Chemistry of Materials},
  volume = {38},
  number = {3},
  pages = {1364-1376},
  year = {2026},
  doi = {10.1021/acs.chemmater.5c02820},
  url = {https://doi.org/10.1021/acs.chemmater.5c02820},
  eprint = {https://doi.org/10.1021/acs.chemmater.5c02820}
}
```
