You can get an adjacency matrix with the function GetAdjacencyMatrix: mol = Chem.GetMolFromSmiles(‘CCCCC’) am = Chem.rdmolops.GetAdjacencyMatrix(mol)
> On 16 Jul 2019, at 21.06, Navid Shervani-Tabar <[email protected]> wrote: > > Hello, > > I was wondering if it is possible to generate graph representations from > SMILES using RDkit package. > > Thanks, > Navid > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
