Alyssa Travitz 141960944b deprecate openfe utils 3dviz in favor of gufe method (#1592) ...

* deprecate openfe utils 3dviz in favor of gufe method

* add news item

* update news

* fix deprecation warning capture

* update guide

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Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>

2025-10-20 23:56:23 +00:00

..

add_jq_docs.rst

add jq cookbook (#1488)

2025-08-25 10:25:52 -07:00

ahfe_nocharged.rst

Fix validation in AHFE Protocol (#1572)

2025-10-14 17:45:58 +00:00

change_cli_mapper_to_kartograf.rst

add news

2025-09-25 09:55:23 +01:00

constraints_error_message.rst

add news

2025-10-07 13:47:31 +01:00

cuda.rst

Make CUDA the default compute platform (#1576)

2025-10-20 14:10:34 +01:00

deprecate_3dviz.rst

deprecate openfe utils 3dviz in favor of gufe method (#1592)

2025-10-20 23:56:23 +00:00

deprecate_alchemical_charge_diff.rst

Move ligand utils to gufe (#1479)

2025-08-26 16:51:00 +00:00

no_fire_dryrun.rst

debug slow python 3.13 tests (#1468)

2025-08-13 22:43:02 +00:00

no-resids-limit-from-topology.rst

Removing unnecessary limit on resids (#1539)

2025-09-29 13:23:27 +00:00

pydantic_v2.rst

migrate to pydantic v2 (#1535)

2025-10-10 23:02:57 +00:00

rbfe_settings_update.rst

Fast/ adaptive settings (#1523)

2025-10-20 11:32:16 -07:00

septop_protocol.rst

SepTop Protocol (#1057)

2025-09-23 09:52:11 +01:00

TEMPLATE.rst

added changelog entry and template

2024-02-16 10:39:20 +00:00