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PyHDX version 0.4.0 beta3

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@Jhsmit Jhsmit released this 16 Sep 14:43
· 721 commits to master since this release

Changes:

  • Refactored config; moved config files, refactored cluster to scheduler_address where applicable (#220)
  • Changed Lagrangian squared error reduction from 'total' to 'mean' (affecting regularization values) (#221)
  • Regularization components are treated separately and stored in losses dataframe (#222)
  • Internal time units are now in seconds (73c387c)
  • Added optimization loop callbacks and checkpoint (#222)
  • Allow for saving of HDXMeasurementSet objects to .csv/.txt file (9cca09f)
  • Allow for reading of 'HDXMeasurementSet` objects from .csv/.txt file (4e9fcac)
  • Implemented __str__ for HDXMeassurement objects (5122d23)
  • Updated yaml batch formatting format (7d94411, 7c71847)