๐งช๐ ๐. 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.
MIT License
We want to
We provide
panel-chemistry
python package of chemistry components for Panel.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
.
Click one of the buttons
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
.
conda install -c conda-forge panel-chemistry
Please support Panel and awesome-panel by giving the projects a star on Github:
Thanks
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.
.