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Introduce Basic Orientational Entropy Calculations - #294

Merged

skfegan merged 26 commits into

mainfrom

27-orientational-entropy

Mar 13, 2026

Merged

Introduce Basic Orientational Entropy Calculations#294
skfegan merged 26 commits into
mainfrom
27-orientational-entropy

Commits on Feb 27, 2026
- adding basic orientational entropy
  skfegan
  committed
  eedd9d1
- Merge branch 'main' into 27-orientational-entropy
  skfegan
  committed
  46f650e
Commits on Mar 1, 2026
- fixing output formating for orientational entropy
  skfegan
  committed
  ab8ff89
Commits on Mar 2, 2026
- adding documentation about orientational entropy
  skfegan
  committed
  85d126a
- adding rdkit to pyproject.toml
  skfegan
  committed
  a694bd0
Commits on Mar 4, 2026
- tidy up code
  skfegan
  committed
  44bd758
- update regression test baselines
  skfegan
  committed
  6c984e6
- removing redundant tests
  skfegan
  committed
  a06e379
Commits on Mar 6, 2026
- tests
  skfegan
  committed
  c18e010
Commits on Mar 11, 2026
Commits on Mar 13, 2026