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Pull requests list

Fix failing test_kekulization test after RDKit update
#883 opened Apr 8, 2026 by padix-key Member Loading…
1
Fix PanicException for single residues in connect_inter_residue()
#882 opened Apr 8, 2026 by padix-key Member Loading…
1
Make order of BondType enum member deterministic
#881 opened Apr 8, 2026 by padix-key Member Loading…
1
feat: add ClustalW .aln format support for sequence alignments
#880 opened Apr 5, 2026 by haoyu-haoyu Loading…
1
2
Implement KmerTable and BucketKmerTable in Rust
#859 opened Jan 28, 2026 by padix-key Member • Draft
1
Disallow redundant bonds in BondList
#829 opened Sep 12, 2025 by Linford24 Loading…
9
Add pandas-style query functionality to AtomArray and AtomArrayStack objects enhancement
#815 opened Jul 20, 2025 by Croydon-Brixton Contributor Loading…
10
Add gallery example for profile alignments
#692 opened Nov 4, 2024 by padix-key Member • Draft
Add CLePAPS structural alphabet on hold Some reason blocks the further development
#681 opened Oct 19, 2024 by padix-key Member • Draft
support for YASARA PETWORLD Cif files.
#633 opened Aug 8, 2024 by corredD Loading…
4
Mol2 and XYZ File Parsers
#418 opened Aug 31, 2022 by entropybit Contributor Loading…
29
foldx Buildmodel mutation interfact - convenience interface
#374 opened Feb 23, 2022 by Mojusko Loading…
29
[WIP] Optional brute force approach for RDF calculation
#315 opened May 18, 2021 by padix-key Member • Draft
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