Convert rdkit molecule object to igraph graph object.

Molecules are often handled as graph in chemoinformatics. There are some libraries for graph analysis in python. Today, I wrote a sample script that convert from molecule to graph. I used python-igraph and rdkit. RDkit has method to get adjacency matrix from molecule so, I used the method. Code is following. Now test it. SeemsContinue reading “Convert rdkit molecule object to igraph graph object.”