FEP_dash_cytoscape

1. export SVG
2. browser accessible
3. borrowed from https://iwatobipen.wordpress.com/2020/03/30/draw-scaffold-tree-as-network-with-molecular-image-rdkit-cytoscape/

Installation

1. conda install -c conda-forge dash_cytoscape
2. conda install -c conda-forge rdkit
3. conda install -c conda-forge -c omnia perses
4. download and install cytoscape from https://cytoscape.org/

Dataset

https://github.com/choderalab/qmlify/tree/master/experiments/mm_data

Example

1. open cytoscape for callback
2. python run.py