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CHANGELOG.md

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CHANGELOG

Version 0.3.0 - 2024-05-28

Features

  • Adding pipeine for creating dataset for disconnection-aware Chemformer model.
  • Fine-tuning of Chemformer has been updated to support Hydra configuration.

Bug-fixes

  • Fixed an issue in the template pipeline when sibling reaction information is not available.

Version 0.2.0 - 2024-01-09

Features

  • Adding pipelines for preparing and fine-tuning Chemformer model
  • Adding pipelines for training retrosynthesis model for stereocontrolled reactions
  • Adding updates to the reaction clean-up pipeline

Trivial changes

  • Adding support for aizynthfinder 4.0.0
  • Adding support for making ONNX models

Version 0.1.0 - 2022-11

First public release