a-r-j graphein issues - Githubissues

a-r-j / graphein

Protein Graph Library

https://graphein.ai/

MIT License

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issues

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Feat/coord mask and logging change

#401 kierandidi opened 1 week ago
1
Error in tdc_developability.ipynb notebook

#400 velocirraptor23 opened 2 weeks ago
0
Can not find a function ProteinGraph function anymore

#399 velocirraptor23 opened 2 weeks ago
3
[feat] add uniprot ecnumber and cath label options to pdb manager

#398 kierandidi closed 4 weeks ago
1
add additional hetatm info to pyg parser

#397 a-r-j opened 1 month ago
1
Fix cluster file loading bug in `pdb_data.py`

#396 amorehead closed 1 month ago
1
[fix] change progressbar for pdb download

#394 kierandidi closed 1 month ago
1
[pre-commit.ci] pre-commit autoupdate

#393 pre-commit-ci[bot] closed 2 months ago
1
convert_nx_to_pyg doubles edge_index but not kind

#392 l-Dr-MR-l opened 2 months ago
0
[cleanup] change logging levels to debug to declutter output

#391 kierandidi closed 2 months ago
1
Add AYA to constants #387

#390 a-r-j opened 2 months ago
1
TypeError: construct_graph() got an unexpected keyword argument 'pdb_path'

#389 zhaoxuetong opened 2 months ago
2
[feat] expose bfactors in protein_to_pyg function

#388 kierandidi closed 2 months ago
1
Error occurred while constructing edges from pdb files

#387 Runinthenight opened 2 months ago
1
[pre-commit.ci] pre-commit autoupdate

#386 pre-commit-ci[bot] closed 2 months ago
1
exposed fill_value to protein_to_pyg function

#385 kierandidi closed 2 months ago
2
Error occurred while Constructing edges when reading PDB file.

#384 1412140736 opened 2 months ago
7
[pre-commit.ci] pre-commit autoupdate

#383 pre-commit-ci[bot] closed 2 months ago
1
[fix] foldcomp datasets

#382 kierandidi closed 2 months ago
1
`pip install` fails on fresh `python==3.11` and `python==3.10` conda environment

#381 kamurani opened 2 months ago
1
Add PyG install to tutorial notebook #338

#380 a-r-j closed 3 months ago
2
remove typing_extension dependency

#378 kierandidi closed 3 months ago
3
change mmseqs pdb data path

#377 kierandidi closed 3 months ago
1
[pre-commit.ci] pre-commit autoupdate

#376 pre-commit-ci[bot] closed 3 months ago
1
Wire up `deprotonate` arg in `construct_graph` #374

#375 a-r-j closed 3 months ago
1
deprotonate=False not working?

#374 l-Dr-MR-l closed 3 months ago
5
keep_het parameter not working

#373 davidkastner closed 3 months ago
2
pin notebook version <7 #371

#372 a-r-j closed 3 months ago
3
docker compose fails to build due to jupyter nbextension

#371 avivko closed 3 months ago
3
Correct the judgment of hydrogen bonds

#370 Linsastar opened 4 months ago
5
error in the tutorial

#368 xiaopuren opened 4 months ago
1
[pre-commit.ci] pre-commit autoupdate

#367 pre-commit-ci[bot] closed 4 months ago
1
Bump version strings for 1.7.6 release

#365 a-r-j closed 4 months ago
1
update PDB urls to avoid deprecated ftp

#364 a-r-j closed 4 months ago
1
[pre-commit.ci] pre-commit autoupdate

#363 pre-commit-ci[bot] closed 5 months ago
1
[pre-commit.ci] pre-commit autoupdate

#362 pre-commit-ci[bot] closed 6 months ago
1
[pre-commit.ci] pre-commit autoupdate

#361 pre-commit-ci[bot] closed 6 months ago
1
[pre-commit.ci] pre-commit autoupdate

#360 pre-commit-ci[bot] closed 6 months ago
1
eliminate FutureWarning about Pandas

#359 StevenAZy closed 7 months ago
2
[pre-commit.ci] pre-commit autoupdate

#358 pre-commit-ci[bot] closed 7 months ago
1
Handle edge case of computing chi angles for PYL #356

#357 a-r-j closed 8 months ago
1
Sidechain torsion angle computation fails on examples containing Pyrolysin

#356 pankessel closed 3 months ago
0
Add support for DSSP version and add rsa node features to residues with insertion codes

#355 biochunan closed 3 months ago
7
add insertion code to node_id when insertoins are set to True

#354 biochunan closed 8 months ago
2
dssp version argument

#353 biochunan closed 8 months ago
2
Improve `graphein.protein.tensor.io.to_pdb` & prep for `1.7.5` release

#352 a-r-j closed 8 months ago
1
Bump versionstrings for `1.7.4` release

#351 a-r-j closed 8 months ago
1
Add support for PyG 2.4+

#350 a-r-j closed 8 months ago
1
[pre-commit.ci] pre-commit autoupdate

#349 pre-commit-ci[bot] closed 8 months ago
1
change dssp conda install to apt

#348 a-r-j closed 8 months ago
1