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Merging dev branch into main. This includes several new features:

  • new plotting functions in analysis class
  • analysis of angles, bonds, and dihedrals in generated structures
  • updated examples
  • improved environment yaml file
  • simplified data generation in analysis class

Several updates are not back-compatible, including:

  • changed order of axes of tensor within models
  • cleaned logging
  • updated way data normalisation is carried out

ryankzhu and others added 30 commits June 18, 2025 15:21
…or distance matrix representation. Update analysis for new plotting functions and swap dimension of atom_no and xyz coordiantes in the representation.
alexandrosangeli and others added 6 commits December 4, 2025 11:34
…ndran-return-shape

Reshape the Ramachandran surfaces from 1D tensors to 2D (#40)
…ngpool-explicitly

Explicitly close multiprocessing pool of DOPE and Ramachandran scores…
@degiacom degiacom merged commit 721fb5f into master Dec 16, 2025
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4 participants