What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #367
- change mmseqs pdb data path by @kierandidi in #377
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #376
- Wire up
deprotonate
arg inconstruct_graph
#374 by @a-r-j in #375 - remove typing_extension dependency by @kierandidi in #378
- Add PyG install to tutorial notebook #338 by @a-r-j in #380
- pin notebook version <7 #371 by @a-r-j in #372
- Add support for DSSP version and add rsa node features to residues with insertion codes by @biochunan in #355
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #383
- [fix] foldcomp datasets by @kierandidi in #382
- exposed fill_value to protein_to_pyg function by @kierandidi in #385
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #386
- [feat] expose bfactors in protein_to_pyg function by @kierandidi in #388
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #393
- [cleanup] change logging levels to debug to declutter output by @kierandidi in #391
- Fix cluster file loading bug in
pdb_data.py
by @amorehead in #396 - [fix] change progressbar for pdb download by @kierandidi in #394
- [feat] add uniprot ecnumber and cath label options to pdb manager by @kierandidi in #398
- Feat/logging cif support by @kierandidi in #402
- Add AYA to constants #387 by @a-r-j in #390
- Add cpdb support to speed up parsing by @a-r-j in #323
- add additional hetatm info to pyg parser by @a-r-j in #397
- V.1.7.7 by @a-r-j in #405
- fix: improve support for newer
dssp
versions #403 by @a-r-j in #404 - hotfix greater than/less than operations in pdb_manager by @a-r-j in #408
New Contributors
- @kierandidi made their first contribution in #377
- @biochunan made their first contribution in #355
Full Changelog: v1.7.6...v1.7.7