Install the aiidalab_widgets_base python package via:
pip install aiidalab-widgets-base
Install the corresponding aiidalab-widgets-base AiiDAlab application
via the app manager as usual.
- The
SmilesWidgetwidget requires the OpenBabel library.
The documentation can be found on the following web page.
Using the widgets usually just involves importing and displaying them.
For demos, have a look at the jupyter notebooks (.ipynb extension) in
this folder.
MIT
Users of AiiDAlab are kindly asked to cite the following publication in their own work:
A. V. Yakutovich et al., Comp. Mat. Sci. 188, 110165 (2021). DOI:10.1016/j.commatsci.2020.110165
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.
