10000 v1.7.7 · a-r-j graphein · Discussion #411 · GitHub

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v1.7.7 #411

a-r-j announced in Announcements

a-r-j
Sep 18, 2024
Maintainer

What's Changed

[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in [pre-commit.ci] pre-commit autoupdate #367
change mmseqs pdb data path by @kierandidi in change mmseqs pdb data path #377
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in [pre-commit.ci] pre-commit autoupdate #376
Wire up deprotonate arg in construct_graph deprotonate=False not working? #374 by @a-r-j in Wire up deprotonate arg in construct_graph #374 #375
remove typing_extension dependency by @kierandidi in remove typing_extension dependency #378
Add PyG install to tutorial notebook Running colab exmaple got an error ModuleNotFoundError: No module named 'torch_geometric' #338 by @a-r-j in Add PyG install to tutorial notebook #338 #380
pin notebook version <7 docker compose fails to build due to jupyter nbextension #371 by @a-r-j in pin notebook version <7 #371 #372
Add support for DSSP version and add rsa node features to residues with insertion codes by @biochunan in Add support for DSSP version and add rsa node features to residues with insertion codes #355
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in [pre-commit.ci] pre-commit autoupdate #383
[fix] foldcomp datasets by @kierandidi in [fix] foldcomp datasets #382
exposed fill_value to protein_to_pyg function by @kierandidi in exposed fill_value to protein_to_pyg function #385
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in [pre-commit.ci] pre-commit autoupdate #386
[feat] expose bfactors in protein_to_pyg function by @kierandidi in [feat] expose bfactors in protein_to_pyg function #388
[pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in [pre-commit.ci] pre-commit autoupdate #393
[cleanup] change logging levels to debug to declutter output by @kierandidi in [cleanup] change logging levels to debug to declutter output #391
Fix cluster file loading bug in pdb_data.py by @amorehead in Fix cluster file loading bug in pdb_data.py #396
[fix] change progressbar for pdb download by @kierandidi in [fix] change progressbar for pdb download #394
[feat] add uniprot ecnumber and cath label options to pdb manager by @kierandidi in [feat] add uniprot ecnumber and cath label options to pdb manager #398
Feat/logging cif support by @kierandidi in Feat/logging cif support #402
Add AYA to constants Error occurred while constructing edges from pdb files #387 by @a-r-j in Add AYA to constants #387 #390
Add cpdb support to speed up parsing by @a-r-j in Add cpdb support to speed up parsing #323
add additional hetatm info to pyg parser by @a-r-j in add additional hetatm info to pyg parser #397
V.1.7.7 by @a-r-j in V.1.7.7 #405
fix: improve support for newer dssp versions always add dssp_version argument #403 by @a-r-j in fix: improve support for newer dssp versions #403 #404
hotfix greater than/less than operations in pdb_manager by @a-r-j in hotfix greater than/less than operations in pdb_manager #408

New Contributors

@kierandidi made their first contribution in change mmseqs pdb data path #377
@biochunan made their first contribution in Add support for DSSP version and add rsa node features to residues with insertion codes #355

Full Changelog: v1.7.6...v1.7.7

This discussion was created from the release v1.7.7.

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