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πŸ§ͺπŸ“ˆ 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.

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πŸ§ͺ Panel-Chemistry

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We want to

  • make it super simple to do exploratory data analysis and develop high-quality Panel 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

πŸš€ Get started in under a minute

You can install the package with pip

pip install panel-chemistry[examples]

Explore the sample apps

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.

πŸ“’ Explore the examples online

Click one of the buttons

nbviewer Binder

πŸƒ Serve a data app

Add the below to a python file or notebook

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

Install with conda

conda install -c conda-forge panel-chemistry

⭐ Support

Please support Panel and awesome-panel by giving the projects a star on Github:

Thanks

❀️ Contribute

You can find good first issues in the issue tracker. To get started check out the DEVELOPER_GUIDE.

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

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πŸ–₯️ Monitor

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About

πŸ§ͺπŸ“ˆ 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.

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