openfe

mirror of https://github.com/OpenFreeEnergy/openfe.git synced 2026-06-04 22:34:24 +08:00

Files

Mike Henry f491184b58 Disable JAX acceleration by default (#1694 )

* Disable JAX acceleration by default

* ruff fmt

* add logging info

* fix url

* fix list

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* add example of error message

* added note about disabling jax acel by default

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Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

2025-12-02 21:12:24 +00:00

cli

Update cli docs (#1264 )

2025-04-30 13:46:11 -07:00

execution

update quickrun execution docs and add MPS link (#1483 )

2025-08-21 08:52:37 -07:00

protocols

ABFE protocol (#1045 )

2025-10-21 11:45:37 +01:00

results

renaming to Results Gathering