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@mufeili mufeili released this 17 Sep 20:19
· 77 commits to master since this release
0.2.5
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Learn about vigilant mode.

This release supports DGL 0.5.0+ along with some feature enhancement. Note that it is recommended to use DGL 0.5.2+, which fixes some bugs. The feature enhancement includes:

  • #67 Support for parallel graph construction in MoleculeCSVDataset (kudos to @sooheon )
  • Better support for molecular property prediction on custom CSV datasets, which can be found here
  • #65 #66 Bug fix for inference with fine-tuned GINs on custom CSV datasets (kudos to @skrsna )
  • #73 Support for self loops in bond featurization
  • #74 Support for virtual nodes in graph construction and featurization
  • #75 Bug fix for featurizing self loops in graphs without real edges
  • #61 #81 #82 #83 #86 Built-in support for more datasets from MoleculeNet
  • #79 #80 Support for PR-AUC Metric
  • #87 Filter out invalid molecules for MoleculeCSVDataset
  • #84 #85 Support non-ring systems in scaffold split (kudos to @skrsna )
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