Adding tests

  from deepchem.models.torch_models import GAT, GATModel

  from deepchem.models.torch_models import GCN, GCNModel

  from deepchem.models.torch_models import LCNN, LCNNModel

  from deepchem.models.torch_models import Pagtn, PagtnModel

except ModuleNotFoundError:

  pass

import unittest

import tempfile

import numpy as np

import deepchem as dc

from deepchem.feat import MolGraphConvFeaturizer

from deepchem.models import Pagtn, PagtnModel

from deepchem.models.tests.test_graph_models import get_dataset

import deepchem as dc

import dgl

smiles = ["C1CCC1", "C1=CC=CN=C1"]

featurizer = dc.feat.MolGraphConvFeaturizer(use_edges=True)

graphs = featurizer.featurize(smiles)

dgl_graphs = [

    graphs[i].to_dgl_graph(self_loop=True) for i in range(len(graphs))

]

batch_dgl_graph = dgl.batch(dgl_graphs)

model = Pagtn(

    n_tasks=1,

    number_atom_features=30,

    number_bond_features=11,

    ouput_node_features=64)

preds = model(batch_dgl_graph)

print(preds)

from deepchem.models.torch_models.gcn import GCN, GCNModel

from deepchem.models.torch_models.mpnn import MPNN, MPNNModel

from deepchem.models.torch_models.lcnn import LCNN, LCNNModel

from deepchem.models.torch_models.pagtn import Pagtn, PagtnModel

 No newline at end of file