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The add_hydrogen_bond_interactions function assigns the 'atom_type' of all constructed hydrogen bonds as 'CA'

Status: Open.

#437 In a-r-j/graphein;

· ghost opened on Aug 25, 2025

Add a max waiting time for computing meshes

Status: Open.

#431 In a-r-j/graphein;

· DrLeucine opened on Jul 9, 2025

Add add_bond_type_one_hot as edge features for molecules

Status: Open.

#430 In a-r-j/graphein;

· chris-clem opened on Jun 18, 2025

Add num_heavy_atoms as node features

Status: Open.

#429 In a-r-j/graphein;

· chris-clem opened on Jun 18, 2025

Using graphein 1.7.7 in colab

Status: Open.

#424 In a-r-j/graphein;

· mahdi-shafiei opened on Apr 22, 2025

Reading local PDB file failed, got file from PDB database. No bug info printed and it stayed 0% instead of 100%.

Status: Open.

#421 In a-r-j/graphein;

· DUAN-GAO opened on Mar 13, 2025

Bug in calculating edges based on k nearest neighbors

Status: Open.

#410 In a-r-j/graphein;

· tsjain opened on Aug 23, 2024

ERROR 'NoneType' object has no attribute 'nodes'. WARNING can't convert np.ndarray of type numpy.str_.

Status: Open.

#409 In a-r-j/graphein;

· PabloExperimental opened on Aug 17, 2024

Error in tdc_developability.ipynb notebook

Status: Open.

#400 In a-r-j/graphein;

· velocirraptor23 opened on Jun 17, 2024

convert_nx_to_pyg doubles edge_index but not kind

Status: Open.

#392 In a-r-j/graphein;

· l-Dr-MR-l opened on Apr 24, 2024

Error occurred while constructing edges from pdb files

Status: Open.

#387 In a-r-j/graphein;

· Runinthenight opened on Apr 19, 2024

Error occurred while Constructing edges when reading PDB file.

Status: Open.

#384 In a-r-j/graphein;

· 1412140736 opened on Apr 9, 2024