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7a04573
update install instructions (#1744)
atravitz Dec 8, 2025
c4dd615
update manifest to include all .gz files (#1746)
atravitz Dec 8, 2025
f55571a
bump cuda version to 11.8 (#1749)
mikemhenry Dec 9, 2025
951b887
fix deprecation warning on view_components_3d (#1750)
atravitz Dec 11, 2025
f3427bf
expose KartografAtomMapper alongside other AtomMappers (#1751)
atravitz Dec 16, 2025
e5a3c87
fix psutils import (#1779)
atravitz Jan 6, 2026
e86ed7c
[pre-commit.ci] pre-commit autoupdate (#1778)
pre-commit-ci[bot] Jan 6, 2026
b516872
Disable NAGL as a partial charge backend when OEToolkit is installed …
IAlibay Jan 7, 2026
7c02bc5
rename openfecli fixture to avoid duplication with openfe fixture (#1…
atravitz Jan 7, 2026
d1aa5ac
openfe gather: add progress bar for loading JSONs (#1786)
atravitz Jan 9, 2026
5505615
add dill mock to fix openfe docs build (#1792)
atravitz Jan 16, 2026
0537f84
Fix issue 1795 (#1796)
IAlibay Jan 16, 2026
b4631c6
manually add absolute settings news item to changelog (#1821)
atravitz Feb 2, 2026
78639ee
Fixes docstring to clarify argument does not have a default (#1819)
IAlibay Feb 2, 2026
b55b149
fix ligand network cropping bug (#1822)
atravitz Feb 3, 2026
3ccd318
fix pydantic deprecation of copy method
atravitz Feb 4, 2026
5eec5ec
fix pydantic deprecation of dict method - septop (#1831)
atravitz Feb 5, 2026
f74e644
Updated CHANGELOG for 1.8.1
atravitz Feb 5, 2026
46faada
fix changelog links
atravitz Feb 5, 2026
55d4373
add openeye w/ python 3.13 test to CI (#1745)
atravitz Dec 9, 2025
84170d1
bump python version for conda cron (#1748)
atravitz Dec 9, 2025
542f966
remove mypy rdkit pin (#1753)
atravitz Dec 17, 2025
2de749d
Make the multistate hybrid topology samplers not require the HybridTo…
IAlibay Jan 6, 2026
98d03c6
Migrate validation to Protocol._validate in HybridTopologyProtocol (#…
IAlibay Jan 6, 2026
eaafa9a
Move rfe protocol (#1769)
IAlibay Jan 7, 2026
6357e81
HybridTop Unit methods (#1770)
IAlibay Jan 7, 2026
83cedc5
Have two separate system generators for state A & B in hybrid protoco…
IAlibay Jan 8, 2026
d85e0ec
HybridTop structural analysis via API rather than CLI (#1771)
IAlibay Jan 9, 2026
e93b9f6
making some language clearer on github-facing things (#1758)
atravitz Jan 9, 2026
1bc6abe
Moving AFE Protocols around a bit (#1775)
IAlibay Jan 15, 2026
01daa02
Create setup, run, and analysis units for HybridTop Protocol (#1773)
IAlibay Jan 15, 2026
2d9e77d
update docs for multiple protocol units (#1793)
atravitz Jan 16, 2026
ebaefb0
Update docstring for hybridtop classes (#1794)
IAlibay Jan 16, 2026
cbc118d
Small improvement in RelativeHybridTopologyProtocol docstring (#1797)
IAlibay Jan 20, 2026
e2edb74
turn off zenodo retry (#1802)
atravitz Jan 21, 2026
d379405
only run CI on macos python 3.12 (#1803)
atravitz Jan 21, 2026
a4a4da7
Turn AFE protocols into multiple units (#1776)
IAlibay Jan 22, 2026
f49957c
move to src layout (#1805)
atravitz Jan 22, 2026
ada0784
Temporarily build pooch from main w/ hotfix (#1806)
atravitz Jan 22, 2026
1a7c906
make CLI starting guide easier to find from the landing page (#1787)
atravitz Jan 26, 2026
573426a
Update pyproject.toml (#1813)
IAlibay Jan 28, 2026
300c174
refactor: clean up test data handling (#1815)
atravitz Jan 29, 2026
7a3eef1
min pin pooch to fix data fetching (#1820)
atravitz Feb 2, 2026
9d50ca7
fix ligand network cropping bug (#1822)
atravitz Feb 3, 2026
8d794e3
fix api break check path (#1825)
atravitz Feb 3, 2026
33426ee
fix pydantic deprecation of copy method (#1829)
atravitz Feb 4, 2026
05cc0d1
fix scope mismatch with zenodo data (#1828)
atravitz Feb 4, 2026
cd3f607
Merge branch 'main' of github.com:OpenFreeEnergy/openfe into sync-1.8.1
atravitz Feb 5, 2026
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17 changes: 17 additions & 0 deletions docs/CHANGELOG.rst
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,23 @@ Changelog

.. current developments

v1.8.1
====================

**Added:**

* Added a progress bar for ``openfe gather`` JSON loading (`PR #1786 <https://github.com/OpenFreeEnergy/openfe/pull/1786>`_).

**Fixed:**

* Due to issues with OpenFF's handling of toolkit registries
with NAGL, the use of NAGL models (e.g. AshGC) when OpenEye
is installed but not requested as the charge backend has been
disabled (Issue #1760, `PR #1762 <https://github.com/OpenFreeEnergy/openfe/pull/1762>`_).
* Fixed bug in ligand network visualization (such as with ``openfe view-ligand-network``) so that ligand names are no longer cut off by the plot border (`PR #1822 <https://github.com/OpenFreeEnergy/openfe/pull/1822>`_).



v1.8.0
====================

Expand Down
26 changes: 0 additions & 26 deletions news/disable_oechem_nagl.rst

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23 changes: 0 additions & 23 deletions news/progress_bar.rst

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