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molecule_generation 0.2.0
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@kmaziarz kmaziarz released this 01 Jul 12:07
· 29 commits to main since this release
v0.2.0
22950b6
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Learn about vigilant mode.

Added

  • Add MoLeRGenerator, which uses the MoLeR decoder (without the encoder) as an autoregressive policy (#6)
  • Add load_model_from_directory, which can load any model by automatically picking the right wrapper class (#24)
  • Implement an option for encode to return not only the mean latent code but also the variance (#26)

Changed

  • Improve how the MoLeR visualisers handle node selection steps (#10)
  • Refactor how MoLeR keeps track of generation steps during decoding and include partial molecules in the step info classes (#27)

Fixed

  • Fix one-off errors in the latent-based visualisation mode (#10)
  • Constrain protobuf version to avoid pulling in a breaking release (#25)
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