pyg-nightly 2.7.0.dev20250108__py3-none-any.whl → 2.7.0.dev20250111__py3-none-any.whl

{pyg_nightly-2.7.0.dev20250108.dist-info → pyg_nightly-2.7.0.dev20250111.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.3
 Name: pyg-nightly
-Version: 2.7.0.dev20250108
+Version: 2.7.0.dev20250111
 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.dev20250108.dist-info → pyg_nightly-2.7.0.dev20250111.dist-info}/RECORD

@@ -1,4 +1,4 @@
-torch_geometric/__init__.py,sha256=IXxcGZNLYVYDqqpE4NFzLLZCgv_6jV4p0gO4zoarQY4,1904
+torch_geometric/__init__.py,sha256=fUnJzsRkcogsxrBzei8OXxxnZgIKDH457ws1C5Yf6fg,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
@@ -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=CZVi61JOM1WT-tZhSRoPDlSUtdggDn_O8i30sqH3g54,18743
+torch_geometric/datasets/molecule_gpt_dataset.py,sha256=gVZv14PuZCanE4oxxHlqRNrvzGv6_KN318q5yFA3lS0,18797
 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
@@ -629,6 +629,6 @@ torch_geometric/utils/undirected.py,sha256=H_nfpI0_WluOG6VfjPyldvcjL4w5USAKWu2x5
 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.dev20250108.dist-info/WHEEL,sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI,82
-pyg_nightly-2.7.0.dev20250108.dist-info/METADATA,sha256=qO4EgSABDWfcGsRNkCrLyn7R3NKlkfLvpSfTCWZ5Srg,62977
-pyg_nightly-2.7.0.dev20250108.dist-info/RECORD,,
+pyg_nightly-2.7.0.dev20250111.dist-info/WHEEL,sha256=CpUCUxeHQbRN5UGRQHYRJorO5Af-Qy_fHMctcQ8DSGI,82
+pyg_nightly-2.7.0.dev20250111.dist-info/METADATA,sha256=2-fvrzpsCSfm0ElMUqOmmYibkTLyl04l5LAv6aqOCgg,62977
+pyg_nightly-2.7.0.dev20250111.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.dev20250108'
+__version__ = '2.7.0.dev20250111'
 
 __all__ = [
     'Index',

torch_geometric/datasets/molecule_gpt_dataset.py

@@ -371,6 +371,7 @@ class MoleculeGPTDataset(InMemoryDataset):
                     writer.write(mol)
                     valid_mol_count += 1
 
+                writer.close()
                 print(f"block id: {block_id}\nfound {valid_mol_count}\n\n")
                 sys.stdout.flush()
                 return
@@ -410,6 +411,7 @@ class MoleculeGPTDataset(InMemoryDataset):
                 print(f"block id: {block_id} with 0 valid SDF file")
                 continue
 
+        writer.close()
         print(f"In total: {len(found_CID_set)} molecules")
 
         # Step 05. Convert to PyG data format