Metadata-Version: 2.4
Name: sita-web
Version: 0.1.0
Summary: Flask web interface and CLI for SITA natural-abundance correction
Project-URL: Homepage, https://github.com/CMonnin/SITA
Project-URL: Source, https://github.com/CMonnin/SITA
Project-URL: Issues, https://github.com/CMonnin/SITA/issues
Author-email: Cian Monnin <cianmonnin@gmail.com>
License-Expression: MIT
Keywords: 13C,GC-MS,flask,isotope,mass-spectrometry,metabolomics
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Web Environment
Classifier: Framework :: Flask
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.10
Requires-Dist: flask>=3.0
Requires-Dist: gunicorn>=21.2
Requires-Dist: openpyxl>=3.1
Requires-Dist: pandas>=2.1
Requires-Dist: sita-core>=0.1.0
Description-Content-Type: text/markdown

# sita-web

Flask web interface and batch CLI for [SITA](https://github.com/CMonnin/SITA)
natural-abundance correction of GC-MS mass distribution vectors.

## Install

```
pip install sita-web
```

## Run the web app

```
gunicorn "sita_web.app:create_app()"
```

## Batch CLI

```
sita-batch input.csv -o output.xlsx
```

Input CSV columns: `name, formula, backbone_c`.

See the [project repository](https://github.com/CMonnin/SITA) for details and
the underlying `sita-core` library.
