Now that we have constructed a function to conveniently turn RDKit atom objects into feature vectors, we define an analogous function for RDKit bond objects: defget_bond_features(bond, use_stereochemistry =True): """ Takes an RDKit bond object as input and gives a 1d-numpy array of ...
StellarGraph.edges() can return edge weights as a separate NumPy array with include_edge_weights=True #754 StellarGraph.to_networkx supports ignoring node features (and thus being a little more efficient) with feature_name=None #841 StellarGraph.to_adjacency_matrix now ignores edge weights (that ...