PyPI page
Home page
Author:
Dr. Benjamin T. Speake
Summary:
ChemShell plugin for the AiiDAlab web-based UI framework enabling complex multi-scale chemical modelling workflows using mixed QM/MM approaches.
Latest version:
0.1.1
Required dependencies:
aiida-chemshell
|
aiida-core
|
aiidalab-widgets-base
|
rdkit
|
weas-widget
Optional dependencies:
numpydoc
|
piccolo-theme
|
pre-commit
|
pytest
|
pytest-cov
|
ruff
|
sphinx
|
sphinx-toolbox
Downloads last day:
12
Downloads last week:
44
Downloads last month:
91