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@github-actions github-actions released this 28 Jan 16:49
· 1 commit to main since this release

ISOKANN v1.1.0

Diff since v1.0.0

Merged pull requests:

Closed issues:

  • IsoForce seems to be bugged for T != 1 (#3)
  • replace vec_to_coords by reinterpret (#5)
  • Girsanov for Overdamped Langevin (#6)
  • Alignment of molecules (#8)
  • VGV adaptive sampling (#12)
  • Clean up MOR (#13)
  • Release 1.0 (#17)
  • Change default parameters (#27)
  • New Features systems (#28)
  • Validation loss logger (#30)
  • Saving and Loading state / OpenMMSimulation (#31)
  • getxs, getcoords etc. inconsistencies (#39)
  • Reactive Path uses unaligned distances (#41)
  • Alignment is not working properly (#43)