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Bug fixes, database creation improvements
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@tjkessler tjkessler released this 27 Mar 19:02
· 229 commits to master since this release
3.0.1
f92b742
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Learn about vigilant mode.
  • Added "set_spawn_method", fixes multiprocessing on Unix systems
  • Databases can now be constructed with fingerprints instead of descriptors
  • "get_smiles" function now returns an empty string if the molecule is not found on PubChem
  • Slight updates to logging
  • Hyperparameter tuning bug fix
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