def __getitem__(self, index):
g, target = xyz_graph_reader(os.path.join(self.root, self.ids[index]))
if self.vertex_transform is not None:
h = self.vertex_transform(g)
if self.edge_transform is not None:
g, e = self.edge_transform(g, self.e_representation)
if self.target_transform is not None:
target = self.target_transform(target)
return (g, h, e), target
def __getitem__(self, index):
g, target = xyz_graph_reader(os.path.join(self.root, self.ids[index]))
if self.vertex_transform is not None:
h = self.vertex_transform(g)
if self.edge_transform is not None:
g, e = self.edge_transform(g, self.e_representation)
if self.target_transform is not None:
target = self.target_transform(target)
# g is the graph matrix (na,na), na: number of atoms
# h is the list of node features, len(h): na
# e is the dict of edge features, len(e): ne, ne: number of edges
# target is the list of targets, len(target): nt, nt: number of targets
return (g, h, e), target