v1.7.1
What's Changed
- remove rogue print statement by @a-r-j in #302
- Consistent conversion to undirected graphs by @anton-bushuiev in #301
- Tensor fixes by @a-r-j in #307
- Minor fixes by @a-r-j in #310
- Fix jaxtyping syntax error by @a-r-j in #312
PDBManager
- Bug fixes, adding necessary changes to export only first PDB model, and merging-in latest updates frommaster
by @a-r-j in #311- Improve data loading performance for FoldComp Datasets by 10x by @a-r-j in #313
- Minor fix to ensure virtual angles are returned in correct shape by @a-r-j in #315
- Accounts for selenocysteine in sidechain torsion angle computation by @a-r-j in #316
- Fix
Protein
initialisation #317 by @a-r-j in #318 - Store temp x attr in FoldComp examples to ensure correct batching. by @a-r-j in #319
- Fixes padding in pNerF computations by @a-r-j in #320
- Bugfixes to angle computation and pNeRF by @a-r-j in #321
- Add new helper functions to
PDBManager
by @amorehead in #322 - [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #325
- Fix incorrect link to collab notebook in readme by @AH-Merii in #327
- Update pyyaml version breaking installation by @AH-Merii in #328
- Fix and enhance geometric node features by @anton-bushuiev in #305
- Fix
.requirements
reference for extras in setup.py by @AH-Merii in #330 - Fix handing id when loading from path by @chaitjo in #332
- Fix nx -> pyg conversion with no edges by @anton-bushuiev in #334
- Release v1.7.1 by @AH-Merii in #329
New Contributors
Full Changelog: v1.7.0...v1.7.1