pyg-nightly 2.7.0.dev20250104__py3-none-any.whl → 2.7.0.dev20250106__py3-none-any.whl

{pyg_nightly-2.7.0.dev20250104.dist-info → pyg_nightly-2.7.0.dev20250106.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.3
 Name: pyg-nightly
-Version: 2.7.0.dev20250104
+Version: 2.7.0.dev20250106
 Summary: Graph Neural Network Library for PyTorch
 Keywords: deep-learning,pytorch,geometric-deep-learning,graph-neural-networks,graph-convolutional-networks
 Author-email: Matthias Fey <matthias@pyg.org>

{pyg_nightly-2.7.0.dev20250104.dist-info → pyg_nightly-2.7.0.dev20250106.dist-info}/RECORD

@@ -1,4 +1,4 @@
-torch_geometric/__init__.py,sha256=FimrsnaQQBo7664oG7EW9-gGnOQDy32gsDb90hRVov0,1904
+torch_geometric/__init__.py,sha256=R1yg4nT1jKKf17ozN2tHYEk6XNGMtYyhBYFwn5jeTeM,1904
 torch_geometric/_compile.py,sha256=f-WQeH4VLi5Hn9lrgztFUCSrN_FImjhQa6BxFzcYC38,1338
 torch_geometric/_onnx.py,sha256=V9ffrIKSqhDw6xUZ12lkuSfNs48cQp2EeJ6Z19GfnVw,349
 torch_geometric/backend.py,sha256=lVaf7aLoVaB3M-UcByUJ1G4T4FOK6LXAg0CF4W3E8jo,1575
@@ -93,7 +93,7 @@ torch_geometric/datasets/gdelt_lite.py,sha256=zE1WagpgmsQARQhEgdCBtALRKyuQvIZqxT
 torch_geometric/datasets/ged_dataset.py,sha256=dtd-C6pCygNHLXgVfg3ZTWtTVHKT13Q3GlGrze1_rpo,9551
 torch_geometric/datasets/gemsec.py,sha256=oMTSryTgyed9z_4ydg3ql12KM-_35uqL1AoNls5nG8M,2820
 torch_geometric/datasets/geometry.py,sha256=-BxUMirZcUOf01c3avvF0b6wGPn-4S3Zj3Oau1RaJVk,4223
-torch_geometric/datasets/git_mol_dataset.py,sha256=fdE7hG_gF9bNGHaUITkEnHsZPf9FZy6F66SvvXJ5Tgc,10713
+torch_geometric/datasets/git_mol_dataset.py,sha256=LsS_dPYUpwhWXMBh17iT7IbjlLOP0fFzb-we9cuBDaQ,10681
 torch_geometric/datasets/github.py,sha256=Qhqhkvi6eZ8VF_HqP1rL2iYToZavFNsQh7J1WdeM9dA,2687
 torch_geometric/datasets/gnn_benchmark_dataset.py,sha256=4P8n7czF-gf1egLYlAcSSvfB0GXIKpAbH5UjsuFld1M,6976
 torch_geometric/datasets/heterophilous_graph_dataset.py,sha256=yHHtwl4uPrid0vPOxvPV3sIS8HWdswar8FJ0h0OQ9is,4224
@@ -115,7 +115,7 @@ torch_geometric/datasets/md17.py,sha256=BD6LU2xm6_ycXVk6r4O0poNt5Sr_PJ2P1QjNqIOL
 torch_geometric/datasets/mixhop_synthetic_dataset.py,sha256=4NNvTHUvvV6pcqQCyVDS5XhppXUeF2H9GTfFoc49eyU,3951
 torch_geometric/datasets/mnist_superpixels.py,sha256=o2ArbZ0_OE0u8VCaHmWwvngESlOFr9oM9dSEP_tjAS4,3340
 torch_geometric/datasets/modelnet.py,sha256=-qmLjlQiKVWmtHefAIIE97dQxEcaBfetMJnvgYZuwkg,5347
-torch_geometric/datasets/molecule_gpt_dataset.py,sha256=XE14wgPVBm2kVLYL6NgXUDhv4QGHxVISG-VWEwO7hfA,18754
+torch_geometric/datasets/molecule_gpt_dataset.py,sha256=CZVi61JOM1WT-tZhSRoPDlSUtdggDn_O8i30sqH3g54,18743
 torch_geometric/datasets/molecule_net.py,sha256=VNWLEDulFID8mLsxgN8q1T-O3M2i0n0Si5ISwEZezMU,7379
 torch_geometric/datasets/movie_lens.py,sha256=M4Bu0Xus8IkW8GYzjxPxSdPXNbcCCx9cu6cncxBvLx8,4033
 torch_geometric/datasets/movie_lens_100k.py,sha256=eTpBAteM3jqTEtiwLxmhVj4r8JvftvPx8Hvs-3ZIHlU,6057
@@ -623,12 +623,12 @@ torch_geometric/utils/num_nodes.py,sha256=F15ciTFOe8AxjkUh1wKH7RLmJvQYYpz-l3pPPv
 torch_geometric/utils/ppr.py,sha256=ebiHbQqRJsQbGUI5xu-IkzQSQsgIaC71vgO0KcXIKAk,4055
 torch_geometric/utils/random.py,sha256=Rv5HlhG5310rytbT9EZ7xWLGKQfozfz1azvYi5nx2-U,5148
 torch_geometric/utils/repeat.py,sha256=RxCoRoEisaP6NouXPPW5tY1Rn-tIfrmpJPm0qGP6W8M,815
-torch_geometric/utils/smiles.py,sha256=4xTW56OWqvQcM5i2LEvsESAIvd2n0I17n9tvarHokIw,7162
+torch_geometric/utils/smiles.py,sha256=lGQ2BwJ49uBrQfIxxPz8ceTO9Jo-XCjlLxs1ql3xrsA,7130
 torch_geometric/utils/sparse.py,sha256=uYd0oPrp5XN0c2Zc15f-00rhhVMfLnRMqNcqcmILNKQ,25519
 torch_geometric/utils/undirected.py,sha256=H_nfpI0_WluOG6VfjPyldvcjL4w5USAKWu2x5nUAUjw,6222
 torch_geometric/visualization/__init__.py,sha256=PyR_4K5SafsJrBr6qWrkjKr6GBL1b7FtZybyXCDEVwY,154
 torch_geometric/visualization/graph.py,sha256=ZuLPL92yGRi7lxlqsUPwL_EVVXF7P2kMcveTtW79vpA,4784
 torch_geometric/visualization/influence.py,sha256=CWMvuNA_Nf1sfbJmQgn58yS4OFpeKXeZPe7kEuvkUBw,477
-pyg_nightly-2.7.0.dev20250104.dist-info/WHEEL,sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI,82
-pyg_nightly-2.7.0.dev20250104.dist-info/METADATA,sha256=KxYh9rQVAYsqhJIatgRoCZG1WzEv3p9zAhM85gHxQZ0,62979
-pyg_nightly-2.7.0.dev20250104.dist-info/RECORD,,
+pyg_nightly-2.7.0.dev20250106.dist-info/WHEEL,sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI,82
+pyg_nightly-2.7.0.dev20250106.dist-info/METADATA,sha256=fkp-T6zEZ0-OqE8BwgnL7ewANGzHFJqgBQgownIQbCg,62979
+pyg_nightly-2.7.0.dev20250106.dist-info/RECORD,,

torch_geometric/__init__.py

@@ -30,7 +30,7 @@ from .lazy_loader import LazyLoader
 contrib = LazyLoader('contrib', globals(), 'torch_geometric.contrib')
 graphgym = LazyLoader('graphgym', globals(), 'torch_geometric.graphgym')
 
-__version__ = '2.7.0.dev20250104'
+__version__ = '2.7.0.dev20250106'
 
 __all__ = [
     'Index',

torch_geometric/datasets/git_mol_dataset.py

@@ -187,7 +187,7 @@ class GitMolDataset(InMemoryDataset):
                 img = self.img_transform(img).unsqueeze(0)
                 # graph
                 atom_features_list = []
-                for atom in mol.GetAtoms():  # type: ignore
+                for atom in mol.GetAtoms():
                     atom_feature = [
                         safe_index(
                             allowable_features['possible_atomic_num_list'],
@@ -219,7 +219,7 @@ class GitMolDataset(InMemoryDataset):
 
                 edges_list = []
                 edge_features_list = []
-                for bond in mol.GetBonds():  # type: ignore
+                for bond in mol.GetBonds():
                     i, j = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
                     edge_feature = [
                         safe_index(

torch_geometric/datasets/molecule_gpt_dataset.py

@@ -122,7 +122,10 @@ def clean_up_description(description: str) -> str:
     return first_sentence
 
 
-def extract_name(name_raw: str, description: str) -> Tuple[str, str, str]:
+def extract_name(
+    name_raw: str,
+    description: str,
+) -> Tuple[Optional[str], str, str]:
     first_sentence = clean_up_description(description)
 
     splitter = '  --  --  '
@@ -446,12 +449,12 @@ class MoleculeGPTDataset(InMemoryDataset):
 
                 x: torch.Tensor = torch.tensor([
                     types[atom.GetSymbol()] if atom.GetSymbol() in types else 5
-                    for atom in m.GetAtoms()  # type: ignore
+                    for atom in m.GetAtoms()
                 ])
                 x = one_hot(x, num_classes=len(types), dtype=torch.float)
 
                 rows, cols, edge_types = [], [], []
-                for bond in m.GetBonds():  # type: ignore
+                for bond in m.GetBonds():
                     i, j = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
                     edge_types += [bonds[bond.GetBondType()]] * 2
                     rows += [i, j]

torch_geometric/utils/smiles.py

@@ -91,7 +91,7 @@ def from_rdmol(mol: Any) -> 'torch_geometric.data.Data':
     assert isinstance(mol, Chem.Mol)
 
     xs: List[List[int]] = []
-    for atom in mol.GetAtoms():  # type: ignore
+    for atom in mol.GetAtoms():
         row: List[int] = []
         row.append(x_map['atomic_num'].index(atom.GetAtomicNum()))
         row.append(x_map['chirality'].index(str(atom.GetChiralTag())))
@@ -108,7 +108,7 @@ def from_rdmol(mol: Any) -> 'torch_geometric.data.Data':
     x = torch.tensor(xs, dtype=torch.long).view(-1, 9)
 
     edge_indices, edge_attrs = [], []
-    for bond in mol.GetBonds():  # type: ignore
+    for bond in mol.GetBonds():
         i = bond.GetBeginAtomIdx()
         j = bond.GetEndAtomIdx()