rxnvisualizer
- Requirements
- Linux or MacOS
- RDKit
- Jupyter
- Usage
- activate rdkit environment by typing: conda activate my-rdkit-env
- run web-based interactive computing platform by typing: jupyter notebook
- locate Interface.ipynb and click on it
- go to "cell" and select "Run all"
- click on a result file, e.g. qed1.txt and a list of reaction tree routes appears
- select one and display it