git clone https://github.com/badw/smilesbox.git
cd smilesbox
pip install .
an example Jupyter Notebook can be found here:
./examples/example.ipynb
- make different cell shapes
- add more than one molecule to the cell
- apply to surface slab models
| Name | Name | Last commit date | ||
|---|---|---|---|---|
git clone https://github.com/badw/smilesbox.git
cd smilesbox
pip install .
an example Jupyter Notebook can be found here:
./examples/example.ipynb