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@mufeili mufeili released this 28 Oct 17:02
· 73 commits to master since this release
0.2.6
9723c07
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Learn about vigilant mode.

This release:

  • includes various pre-trained models for 12 datasets in MoleculeNet. See here
  • fixes two bugs related to MoleculeCSVDataset and the WLN example for reaction prediction.
  • supports two kinds of scaffold split, one based on MurckoDecompose, the other based on MurckoScaffoldSmiles
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