panel-chemistry 0.2.2

This project makes it super simple to do exploratory data analysis and develop high-quality Panel data apps within the domain of chemistry.

🧪 Panel-Chemistry

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.

🚀 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.

📒 Get started on Binder

Click the button

🏃 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.

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:

• holoviz/panel.
• awesome-panel/awesome-panel.

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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🖥️ Monitor