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Issues list

better handling of optional dependencies
#76 opened May 29, 2025 by atravitz
Example.py script is currently not working
#75 opened Apr 9, 2025 by hannahbaumann
1
tutorial
#74 opened Apr 4, 2025 by debanjansen48
@IAlibay
20
db_mol.build_graph() command throws ModuleNotFoundError: No module named 'pygraphviz' error bug Something isn't working
#73 opened Apr 3, 2025 by mbrandys-ipd
@atravitz
2
The method getMapping is neither tested nor used in the gufe bindings, but is used in the examples
#68 opened Feb 24, 2025 by hannahbaumann
Mapping with no element change fails
#61 opened Dec 16, 2024 by pbuslaev
5
Ligands not part of a thermodynamic cycle on perturbation mapping
#53 opened Apr 24, 2024 by David-Araripe
Populate Lomap "getting started" docs
#51 opened Mar 11, 2024 by IAlibay
1
Disconnected Lomap networks
#48 opened Mar 6, 2024 by hannahbaumann
@atravitz
4
generate_lomap_network fails occaisionally due to AttributeError
#43 opened Nov 10, 2023 by richardjgowers
@richardjgowers
MCS update needed to handle stereo atoms when mapping
#13 opened May 3, 2022 by pitmanme
Add CITATION file
#11 opened Apr 29, 2022 by dwhswenson
2
Log LOMAP errors?
#35 opened Apr 15, 2022 by dwhswenson
1
Add sphinx docs documentation Improvements or additions to documentation
#10 opened Apr 7, 2022 by dwhswenson
Lomap MCS throws ValueError if rdkit.Mol created from SMILES
#4 opened Feb 15, 2022 by dwhswenson
3
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