After the adjacency matrix from rdkit you can do a lot with the networkx python library.
On Wed, 17 Jul 2019, 10:00 Jan Halborg Jensen, <jhjen...@chem.ku.dk> wrote: > 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 <nshe...@gmail.com> > wrote: > > > > Hello, > > > > I was wondering if it is possible to generate graph representations from > SMILES using RDkit package. > > > > Thanks, > > Navid > > _______________________________________________ > > Rdkit-discuss mailing list > > Rdkit-discuss@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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