Alyssa Travitz 588f552ca9 add ruff isort linting rule (#1665) ...

* isort for docs and utils

* isort for top-level openfe, analysis, setup

* isort setup/

* isort storage/

* isort protocols

* isort openn_afe

* isort openmm_rfe

* isort all protocols

* apply isort to openfe/tests

* apply isort to openfecli

* apply isort to devtools/

* add TODO for setup init

2025-11-10 21:58:30 +00:00

..

data

add ruff isort linting rule (#1665)

2025-11-10 21:58:30 +00:00

installer

Release prep v1.6.1 (#1544)

2025-10-07 18:41:50 +00:00

debug_openmm.sh

debug script for people to test openmm (#733)

2024-05-06 12:57:29 -07:00