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a-r-j
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graphein
Protein Graph Library
https://graphein.ai/
MIT License
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[pre-commit.ci] pre-commit autoupdate
#294
pre-commit-ci[bot]
closed
1 year ago
3
Support MMTF & rename pdb_path to path throughout
#293
a-r-j
closed
1 year ago
4
Prep for 1.7.0 release
#292
a-r-j
closed
1 year ago
2
add docker caching to CI
#291
a-r-j
opened
1 year ago
1
Support for torch 2.0 docker images
#290
a-r-j
opened
1 year ago
0
[WIP] Add FASTA Dataset class
#289
a-r-j
opened
1 year ago
1
Format convertor for molecules
#288
Tigerrr07
closed
1 year ago
6
update citation
#287
a-r-j
closed
1 year ago
1
LMDB Support for FoldComp databases.
#286
a-r-j
opened
1 year ago
0
FoldComp ML Datasets
#284
a-r-j
closed
1 year ago
11
Minor patch `convert_nx_to_pyg` #280
#281
rg314
closed
1 year ago
1
KeyError: 'kind' for split edge index by edge kind when converting nx to pyg
#280
rg314
closed
1 year ago
4
changes for 1.6.0
#279
a-r-j
closed
1 year ago
1
Switch to miniconda for build
#278
a-r-j
closed
1 year ago
2
prelim path support #269
#277
a-r-j
closed
1 year ago
2
clean up unused files and move docs from root
#276
a-r-j
closed
1 year ago
2
Add improved error message for non standard node funcs #274
#275
a-r-j
closed
1 year ago
2
esm_residue_embedding not working
#274
avivko
closed
1 year ago
3
Pip install doesn't work
#273
mawright
closed
1 year ago
2
Development of `PDBManager` Class (WIP)
#272
amorehead
closed
1 year ago
28
add PDB manager #270
#271
a-r-j
closed
1 year ago
3
`construct_graph` in `protein.graphs` should accept a `Path` object or `str`
#269
kamurani
closed
1 year ago
1
Fix graph sequence (atomistic graphs in `initialise_graph_with_metadata` had duplicated residues)
#268
kamurani
closed
1 year ago
4
graph feature `sequence_{chain_id}` contains duplicate residues for atomistic graphs
#267
kamurani
closed
1 year ago
2
compute graph edges
#266
thollis23
closed
1 year ago
3
How to transform a surface to match original pdb reference frame
#265
OliviaViessmann
closed
1 year ago
3
add graph construction from a dataframe
#264
a-r-j
closed
1 year ago
1
Improve altloc handling
#263
anton-bushuiev
closed
1 year ago
11
make pymol host and port configurable via config #261
#262
a-r-j
closed
1 year ago
3
Running graphein with pymol in parallel
#261
OliviaViessmann
closed
1 year ago
13
[pre-commit.ci] pre-commit autoupdate
#260
pre-commit-ci[bot]
closed
1 year ago
2
Use MOL2 file in graphein.protein.graphs.construct_graph
#259
KevinCrp
opened
1 year ago
1
Fix typo in problematic_pdbs.rst
#258
eltociear
closed
1 year ago
2
[pre-commit.ci] pre-commit autoupdate
#257
pre-commit-ci[bot]
closed
1 year ago
1
visualize protein 3d structure in python scripts
#256
pengzhangzhi
closed
1 year ago
5
Insertion codes
#255
anton-bushuiev
closed
1 year ago
1
fix peptide bonds for all atom graphs
#254
a-r-j
closed
1 year ago
1
add_peptide_bonds at atomic graph adds unrealistic peptide bonds
#253
universvm
closed
1 year ago
4
Protein Engineering
#252
NAEV95
opened
1 year ago
3
mesh with surface descriptors?
#251
johnnytam100
opened
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#250
pre-commit-ci[bot]
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#249
pre-commit-ci[bot]
closed
1 year ago
1
Add extras flag for optional imports
#248
a-r-j
opened
1 year ago
0
ImportError: libcudart.so.10.1: cannot open shared object file: No such file or directory
#247
johnnytam100
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#246
pre-commit-ci[bot]
closed
1 year ago
2
Add structural metrics
#245
a-r-j
closed
1 year ago
1
Add tensor parsing util
#244
a-r-j
closed
1 year ago
3
Switch to PyDSSP
#243
a-r-j
opened
1 year ago
0
control protein graph construction verbosity
#242
davidfstein
closed
1 year ago
4
Structure with 1 (or odd number) of Cysteine breaks add_salt_bridges
#241
universvm
closed
1 year ago
12
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