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