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Pull requests: a-r-j/graphein

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Pull requests list

drop requirement on RCSB ligand expo after it has been retired
#445 opened Feb 25, 2026 by a-r-j Owner Loading…
5 tasks
fix: guard rdkit-dependent constants in atoms.py
#441 opened Feb 13, 2026 by mulatta Loading…
2 of 5 tasks
Correct the judgment of hydrogen bonds
#370 opened Mar 2, 2024 by ByteRoo Loading…
RFAM family <-> PDB structure ID mapping
#324 opened Jun 27, 2023 by rvinas Collaborator Loading…
1 of 5 tasks
[WIP] Add FASTA Dataset class
#289 opened Mar 29, 2023 by a-r-j Owner Loading…
6 tasks
Fix ml dataset
#232 opened Nov 5, 2022 by kamurani Contributor Draft
change the pdb_paths working style and support for loading both local… 1 - Priority P1 High Priority enhancement New feature or request
#214 opened Sep 19, 2022 by 1511878618 Contributor Loading…
1 of 5 tasks
add ProteinsX dataset classes
#204 opened Aug 2, 2022 by a-r-j Owner Loading…
5 tasks
Graph plots
#197 opened Jul 22, 2022 by kamurani Contributor Loading…
3 of 5 tasks
Protein_ligand graph support & junction tree feature
#164 opened Apr 24, 2022 by yuanqidu Contributor Loading…
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