Metadata-Version: 2.4
Name: rda-toolbox
Version: 0.1.14
Summary: Add your description here
Author-email: Timo Leistner <leistner.timo@googlemail.com>
Project-URL: Repository, https://github.com/Robotic-Discovery-of-Antiinfectives/rda-toolbox
Project-URL: Documentation, https://robotic-discovery-of-antiinfectives.github.io/rda-toolbox/
Requires-Python: >=3.12
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: altair>=6.0.0
Requires-Dist: black>=26.1.0
Requires-Dist: mkdocstrings-python>=2.0.2
Requires-Dist: numpy>=2.4.2
Requires-Dist: openpyxl>=3.1.5
Requires-Dist: pandas>=3.0.1
Requires-Dist: pytest>=9.0.2
Requires-Dist: rdkit>=2025.9.5
Requires-Dist: vl-convert-python>=1.9.0.post1
Dynamic: license-file

# Robotic-assisted Discovery of Antiinfectives

This package aims to provide a toolbox for data analysis in the field of drug discovery.

- **[Docs](https://robotic-discovery-of-antiinfectives.github.io/rda-toolbox/)**
- **[PyPi](https://pypi.org/project/rda-toolbox/)**


---

The aim is to provide functions to help evaluate the following assays:
- Primary Screen
- MIC (Minimum Inhibitory Concentration) Assay
- Cellviability

### Usage Example
`pip install rda-toolbox`

or

`pip install "git+https://github.com/Robotic-Discovery-of-Antiinfectives/rda-toolbox.git"`


```Python
#!/usr/bin/env python3

import rda_toolbox as rda
import glob

rda.readerfiles_rawdf(glob.glob("path/to/raw/readerfiles/*"))
```


### File Parsing
- Read output files and return readouts in a [tidy](https://r4ds.had.co.nz/tidy-data.html), [long](https://towardsdatascience.com/long-and-wide-formats-in-data-explained-e48d7c9a06cb) DataFrame

#### **Supported readers:**
- Cytation C10

### Plotting
This package uses [Vega-Altair](https://altair-viz.github.io/index.html) for creating interactive (or static) visualizations.

- Plate Heatmaps
- Upset plots
  - `UpSetAltair` plotting function is taken from https://github.com/hms-dbmi/upset-altair-notebook and modified
  - This part of this package is licensed under MIT license.
<!-- https://testdriven.io/blog/python-project-workflow/ -->


### New Release
1) Update `pyproject.toml` release version
2) Update `docs/source/conf.py` release version
3) On GitHub go to *releases* and `Draft a new release`

### This package is managed via [UV](https://docs.astral.sh/uv/guides/package/#preparing-your-project-for-packaging)
- `uv build`
- `uv publish`
