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Project description
aiidalab-widgets-base
Reusable widgets for applications in the AiiDA lab.
Installation
Install the aiidalab_widgets_base
python package via:
pip install aiidalab-widgets-base
Install the corresponding aiidalab-widgets-base
AiiDA lab application
via the app manager as usual.
Optional dependencies
- The
SmilesWidget
widget requires the OpenBabel library.
Usage
Using the widgets usually just involves importing and displaying them.
For demos, have a look at the jupyter notebooks (.ipynb
extension) in
this folder.
Structures
Uploading structures
from aiidalab_widgets_base import StructureUploadWidget
from IPython.display import display
widget = StructureUploadWidget()
# Enforce node format to be CifData:
# widget = StructureUploadWidget(node_class='CifData')
display(widget)
Codes
Selecting codes
from aiidalab_widgets_base import CodeDropdown
from IPython.display import display
# Select from installed codes for 'zeopp.network' input plugin
dropdown = CodeDropdown(input_plugin='zeopp.network')
display(dropdown)
dropdown.selected_code # returns selected code
License
MIT
Contact
Acknowledgements
This work is supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation, as well as by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.
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