v1.7.1

[a-r-j]

What's Changed

• remove rogue print statement by @a-r-j in remove rogue print statement #302
• Consistent conversion to undirected graphs by @anton-bushuiev in Consistent conversion to undirected graphs #301
• Tensor fixes by @a-r-j in Tensor fixes #307
• Minor fixes by @a-r-j in Minor fixes #310
• Fix jaxtyping syntax error by @a-r-j in Fix jaxtyping syntax error #312
• PDBManager - Bug fixes, adding necessary changes to export only first PDB model, and merging-in latest updates from master by @a-r-j in PDBManager - Bug fixes, adding necessary changes to export only first PDB model, and merging-in latest updates from master #311
• Improve data loading performance for FoldComp Datasets by 10x by @a-r-j in Improve data loading performance for FoldComp Datasets by 10x #313
• Minor fix to ensure virtual angles are returned in correct shape by @a-r-j in Minor fix to ensure virtual angles are returned in correct shape #315
• Accounts for selenocysteine in sidechain torsion angle computation by @a-r-j in Accounts for selenocysteine in sidechain torsion angle computation #316
• Fix Protein initialisation FoldCompDataset calls graphein.protein.tensor.Protein with incorrect __init__ arguments #317 by @a-r-j in Fix Protein initialisation #317 #318
• Store temp x attr in FoldComp examples to ensure correct batching. by @a-r-j in Store temp x attr in FoldComp examples to ensure correct batching. #319
• Fixes padding in pNerF computations by @a-r-j in Fixes padding in pNerF computations #320
• Bugfixes to angle computation and pNeRF by @a-r-j in Bugfixes to angle computation and pNeRF #321
• Add new helper functions to PDBManager by @amorehead in Add new helper functions to PDBManager #322
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in [pre-commit.ci] pre-commit autoupdate #325
• Fix incorrect link to collab notebook in readme by @AH-Merii in Fix incorrect link to collab notebook in readme #327
• Update pyyaml version breaking installation by @AH-Merii in Update pyyaml version breaking installation #328
• Fix and enhance geometric node features by @anton-bushuiev in Fix and enhance geometric node features #305
• Fix .requirements reference for extras in setup.py by @AH-Merii in Fix .requirements reference for extras in setup.py #330
• Fix handing id when loading from path by @chaitjo in Fix handing id when loading from path #332
• Fix nx -> pyg conversion with no edges by @anton-bushuiev in Fix nx -> pyg conversion with no edges #334
• Release v1.7.1 by @AH-Merii in Release v1.7.1 #329

New Contributors

• @AH-Merii made their first contribution in Fix incorrect link to collab notebook in readme #327
• @chaitjo made their first contribution in Fix handing id when loading from path #332

Full Changelog: v1.7.0...v1.7.1

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This discussion was created from the release v1.7.1.