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Pull requests: forlilab/Meeko
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fix: define standard residue connectivity before sanitisation
#495
opened Aug 30, 2026 by
ajrcampbell
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6 of 10 tasks
perf: query the KD-tree once per structure in _identify_bonds
#490
opened Aug 9, 2026 by
JustinKyleKirkland
Contributor
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4 of 10 tasks
fix: keep receptor atom index aligned with the atoms array
#489
opened Aug 9, 2026 by
JustinKyleKirkland
Contributor
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4 of 10 tasks
fix: replace removed np.int alias in PDBQTMolecule.atoms
#488
opened Aug 9, 2026 by
JustinKyleKirkland
Contributor
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4 of 10 tasks
feat: account for radical cofactors
#483
opened Jul 10, 2026 by
joanimato
Collaborator
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7 of 10 tasks
fix: additional templates for faulty RNA bases
#478
opened Jun 10, 2026 by
joanimato
Collaborator
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4 of 10 tasks
option to ignore faulty residues with --rot_term_group option
#477
opened Jun 4, 2026 by
joanimato
Collaborator
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4 of 10 tasks
feat: multiply crippen by excl_vol
#472
opened May 27, 2026 by
diogomart
Contributor
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3 of 10 tasks
Doc updates for new features in changelog (2024.11 - 2025.5)
#360
opened May 8, 2025 by
rwxayheee
Contributor
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Enable Sphinx API documentation from docstrings; Use sphinx-argparse-cli to generate documentation for CLI scripts
#357
opened May 3, 2025 by
rwxayheee
Contributor
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3 tasks done
(Fix #352) Allow multiple matches from raw mol, when raw mol is symmetrical
#353
opened Apr 25, 2025 by
rwxayheee
Contributor
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Refactor
json_serialization_test.py to use schema-based hierarchical tests
#338
opened Apr 11, 2025 by
rwxayheee
Contributor
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