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Release 4.8

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@halx halx released this 16 Jun 05:38
  • Python 3.11 or later required due to security issues and EOL
  • New and updated priors on Zenodo
  • Reagent metadata from Synthsense reported in CSV
  • Peptide enumeration run mode
  • Support for stereochemistry in classical RNN Reinvent prior
  • Support for Chemprop v2, v1 is still optionally available but only one can be installed at a time
  • Support for Apple GPUs (see PyTorch documentation) using the "mps" device
  • Significantly updated documenation and notebooks
  • Peak GPU performance reporting
  • Log elapsed days if more than one day has passed
  • Simplified TensorBoard writing
  • Massively expanded unit and integration tests
  • Support for uv