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Issues list

deprotonate=False not working?
#374 by l-Dr-MR-l was closed Mar 27, 2024
5
keep_het parameter not working
#373 by davidkastner was closed Mar 12, 2024
2
docker compose fails to build due to jupyter nbextension
#371 by avivko was closed Mar 31, 2024
3
Sidechain torsion angle computation fails on examples containing Pyrolysin
#356 by pankessel was closed Mar 13, 2024
add insertion code to node_id when insertoins are set to True
#354 by biochunan was closed Nov 3, 2023
2
dssp version argument
#353 by biochunan was closed Nov 3, 2023
2
can't read pdb ends with .pdb1.gz
#343 by pengzhangzhi was closed Sep 14, 2023
3
Running colab exmaple got an error ModuleNotFoundError: No module named 'torch_geometric'
#338 by pengzhangzhi was closed Mar 31, 2024
2
Error during Getting requirements to build wheel
#331 by valentynbez was closed Aug 25, 2023
3
FoldCompDataset calls graphein.protein.tensor.Protein with incorrect __init__ arguments
#317 by mawright was closed May 25, 2023
2
A small bug in the creating_datasets_from_the_pdb.ipynb
#306 by pengzhangzhi was closed Apr 17, 2023
1
On rgroup_df=compute_rgroup_dataframe(remove_insertions(raw_pdb_df))
#304 by anton-bushuiev was closed Jul 31, 2023
1
2
issue in protein graph
#303 by etheng-jiao was closed Jul 31, 2023
3
NameError for missing os import in graphein.protein.graphs
#296 by kamurani was closed Apr 10, 2023
2
Format convertor for molecules
#288 by Tigerrr07 was closed Mar 30, 2023
6
KeyError: 'kind' for split edge index by edge kind when converting nx to pyg
#280 by rg314 was closed Mar 14, 2023
1
4
esm_residue_embedding not working
#274 by avivko was closed Mar 22, 2023
3
Pip install doesn't work
#273 by mawright was closed Mar 18, 2023 1.6.0
2
construct_graph in protein.graphs should accept a Path object or str
#269 by kamurani was closed Mar 18, 2023
1
graph feature sequence_{chain_id} contains duplicate residues for atomistic graphs
#267 by kamurani was closed Feb 21, 2023
1
2
compute graph edges
#266 by thollis23 was closed Mar 12, 2023
3
How to transform a surface to match original pdb reference frame
#265 by OliviaViessmann was closed Feb 14, 2023
3
Running graphein with pymol in parallel
#261 by OliviaViessmann was closed Feb 14, 2023
13
visualize protein 3d structure in python scripts
#256 by pengzhangzhi was closed Jan 31, 2023
5
Insertion codes
#255 by anton-bushuiev was closed Feb 10, 2023
1
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