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37 Open 118 Closed
37 Open 118 Closed
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Issues list

Keep all hetatms for all-atom graphs
#415 opened Nov 4, 2024 by EvanKomp
3
Bug in calculating edges based on k nearest neighbors
#410 opened Aug 23, 2024 by tsjain
ERROR 'NoneType' object has no attribute 'nodes'. WARNING can't convert np.ndarray of type numpy.str_.
#409 opened Aug 17, 2024 by PabloExperimental
2
Error in tdc_developability.ipynb notebook
#400 opened Jun 17, 2024 by velocirraptor23
1
convert_nx_to_pyg doubles edge_index but not kind
#392 opened Apr 24, 2024 by l-Dr-MR-l
1
Error occurred while constructing edges from pdb files
#387 opened Apr 19, 2024 by Runinthenight
1
Error occurred while Constructing edges when reading PDB file.
#384 opened Apr 9, 2024 by 1412140736
7
pip install fails on fresh python==3.11 and python==3.10 conda environment
#381 opened Apr 5, 2024 by kamurani
1
error in the tutorial
#368 opened Feb 14, 2024 by xiaopuren
1
ProteinGraphDataset fails if a single graph construction fails.
#345 opened Sep 20, 2023 by kamurani
[Docs] API Reference for graphein.ml is broken
#344 opened Sep 19, 2023 by kamurani
graphein.protein.edges.distance.add_distance_threshold should allow computing distance by "any to any" atomistic even with "residue" granularity set
#342 opened Sep 13, 2023 by kamurani
PDB structure culstering enhancement New feature or request
#314 opened May 3, 2023 by pengzhangzhi
@pengzhangzhi
4
Support for torch 2.0 docker images dependencies Pull requests that update a dependency file
#290 opened Mar 31, 2023 by a-r-j
LMDB Support for FoldComp databases. enhancement New feature or request help wanted Extra attention is needed ML
#286 opened Mar 27, 2023 by a-r-j
Use MOL2 file in graphein.protein.graphs.construct_graph enhancement New feature or request help wanted Extra attention is needed
#259 opened Feb 1, 2023 by KevinCrp
1
Protein Engineering enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed
#252 opened Jan 24, 2023 by NAEV95
3
mesh with surface descriptors?
#251 opened Jan 11, 2023 by johnnytam100
1
Add extras flag for optional imports 1 - Priority P1 High Priority dependencies Pull requests that update a dependency file enhancement New feature or request good first issue Good for newcomers
#248 opened Dec 18, 2022 by a-r-j
Switch to PyDSSP 2 - Priority P2 Medium priority dependencies Pull requests that update a dependency file enhancement New feature or request good first issue Good for newcomers
#243 opened Dec 3, 2022 by a-r-j
ProteinGraphDataset for pairs of proteins? 1 - Priority P1 High Priority enhancement New feature or request ML
#224 opened Oct 30, 2022 by kamurani
3
Networkx to pyg conversion loses track or edge features
#217 opened Oct 18, 2022 by manonreau
1
1
Using both local and downloaded PDBs in ML DataLoaders enhancement New feature or request help wanted Extra attention is needed
#210 opened Sep 16, 2022 by a-r-j
1
doc need to be updated 0 - Priority P0 Highest priority documentation Improvements or additions to documentation
#207 opened Sep 8, 2022 by 1511878618
CLI support for graph transformation 'pipelines' enhancement New feature or request
#195 opened Jul 18, 2022 by kamurani
2
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