Metadata-Version: 2.1
Name: panel-chemistry
Version: 0.2.2
Summary: This project makes it super simple to do exploratory data analysis and develop high-quality Panel data apps within the domain of chemistry.
Author: awesome-panel
License: MIT License
        
        Copyright (c) 2021 Marc Skov Madsen
        
        Permission is hereby granted, free of charge, to any person obtaining a copy
        of this software and associated documentation files (the "Software"), to deal
        in the Software without restriction, including without limitation the rights
        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
        copies of the Software, and to permit persons to whom the Software is
        furnished to do so, subject to the following conditions:
        
        The above copyright notice and this permission notice shall be included in all
        copies or substantial portions of the Software.
        
        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
        SOFTWARE.
Project-URL: repository, https://github.com/awesome-panel/panel-chemistry
Keywords: python,holoviz,panel,dataviz,dataapp,chemistry,cheminformatics,dashboard,analytics
Classifier: License :: OSI Approved :: MIT License
Classifier: Development Status :: 3 - Alpha
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Financial and Insurance Industry
Classifier: Intended Audience :: Healthcare Industry
Classifier: Intended Audience :: Information Technology
Classifier: Intended Audience :: Legal Industry
Classifier: Intended Audience :: Other Audience
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Topic :: Office/Business :: Financial
Classifier: Topic :: Office/Business
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Software Development :: Libraries
Requires-Python: >=3.7
Description-Content-Type: text/markdown
Provides-Extra: dev
Provides-Extra: examples
License-File: LICENSE

# 🧪 Panel-Chemistry

[![Follow on Twitter](https://img.shields.io/twitter/follow/MarcSkovMadsen.svg?style=social)](https://twitter.com/MarcSkovMadsen)
[![Follow on LinkedIn](https://img.shields.io/badge/linked-in-blue)](https://www.linkedin.com/in/marcskovmadsen)

We want to

- make it super simple to do **exploratory data analysis** and develop high-quality
[Panel](https://awesome-panel.org) **data apps** within the domain of **chemistry**.

We provide

- the `panel-chemistry` python package of chemistry components for Panel.
- example notebooks and data apps.

![Panel Chemistry Intro](https://raw.githubusercontent.com/MarcSkovMadsen/panel-chemistry/main/assets/panel-chemistry-intro.gif)

## 🚀 Get started in under a minute

You can install the package with `pip`

```bash
pip install panel-chemistry[examples]
```

Explore the sample apps

```bash
pn hello panel-chemistry
```

You can now find the *reference* notebooks in the `examples/awesome-panel/panel-chemistry` folder. Check them out by running `jupyter lab`.

## 📒 Get started on Binder

Click the button

[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/awesome-panel/panel-chemistry/HEAD)

## 🏃 Serve a data app

Add the below to a python file or notebook

```python
import panel as pn
from panel_chemistry.widgets import JSMEEditor

pn.extension("jsme", sizing_mode="stretch_width")

smiles="N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O"
editor = JSMEEditor(value=smiles, height=500, format="smiles")

editor.servable()
```

Run `panel serve name_of_app.py` or `panel_serve name_of_notebook.ipynb`.

![JSME Editor](https://raw.githubusercontent.com/MarcSkovMadsen/panel-chemistry/main/assets/panel-chemistry-example.png)

## Install with conda

```bash
conda install -c conda-forge panel-chemistry
```

## ⭐ Support

Please support [Panel](https://panel.holoviz.org) and
[awesome-panel](https://awesome-panel.org) by giving the projects a star on Github:

- [holoviz/panel](https://github.com/holoviz/panel).
- [awesome-panel/awesome-panel](https://github.com/awesome-panel/awesome-panel).

Thanks

## ❤️ Contribute

You can find *good first issues* in the [issue tracker](https://github.com/awesome-panel/panel-chemistry/issues). To get started check out the [DEVELOPER_GUIDE](DEVELOPER_GUIDE.md).

I would love to support and receive your contributions. Thanks.

[![Hacktober Fest](https://github.blog/wp-content/uploads/2022/10/hacktoberfestbanner.jpeg?fit=1200%2C630)](https://github.com/awesome-panel/panel-chemistry/issues).

## 🖥️ Monitor

[![PyPI version](https://badge.fury.io/py/panel-chemistry.svg)](https://pypi.org/project/panel-chemistry/)
[![Downloads](https://pepy.tech/badge/panel-chemistry/month)](https://pepy.tech/project/panel-chemistry)
![Python Versions](https://img.shields.io/badge/python-3.7%20%7C%203.8%20%7C%203.9%20%7C%203.10-blue)
[![License](https://img.shields.io/badge/License-MIT%202.0-blue.svg)](https://opensource.org/licenses/MIT)
![Test Results](https://github.com/MarcSkovMadsen/panel-chemistry/actions/workflows/tests.yaml/badge.svg?branch=main)
[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/awesome-panel/panel-chemistry/HEAD)
