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Merge pull request #3800 from shreyasvinaya/ci-fixes
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CI Fixes
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rbharath committed Jan 29, 2024
2 parents ff8bbcf + 0a65a4a commit 3574a85
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions deepchem/models/torch_models/pna_gnn.py
Original file line number Diff line number Diff line change
Expand Up @@ -456,7 +456,7 @@ class PNAGNN(nn.Module):
>>> smiles = ['C1=CC=NC=C1', 'CC(=O)C', 'C']
>>> featurizer = RDKitConformerFeaturizer()
>>> data = featurizer.featurize(smiles)
>>> features = BatchGraphData(np.concatenate(data))
>>> features = BatchGraphData(data)
>>> features = features.to_dgl_graph()
>>> model = PNAGNN(hidden_dim=16,
... aggregators=['mean', 'sum'],
Expand Down Expand Up @@ -577,7 +577,7 @@ class PNA(nn.Module):
>>> smiles = ["C1=CC=CN=C1", "C1CCC1"]
>>> featurizer = RDKitConformerFeaturizer()
>>> data = featurizer.featurize(smiles)
>>> features = BatchGraphData(np.concatenate(data))
>>> features = BatchGraphData(data)
>>> features = features.to_dgl_graph()
>>> target_dim = 1
>>> model = PNA(hidden_dim=16, target_dim=target_dim, task='regression')
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