Alyssa Travitz b5eb3e227e move test data to zenodo (#1148) ...

* test out pooch

* adding zenodo dois

* remove unused import

* delete rbfe_result data from local storage

* move into a fixture factory

* updating missing legs tests

* Revert "delete rbfe_result data from local storage"

This reverts commit 1211200947e38ad17df50ebc3e67eb801e0bf0a4.

* updating failed edges tests

* updating test names to rbfe

* adding zenodo fetchable

* splitting out docs func

* move data out of fixture

* Revert "adding zenodo fetchable"

This reverts commit 5c72321e0e60d09339aee726c06bcda1190a6beb.

* add check for data cache

* cleaning up straggling changes

* remove data that's now on zenodo

* adding correctly compressed results data

2025-02-21 10:19:15 -08:00

..

rbfe_tutorial

fix mypy, pre-charge ligands for reproducible tests

2025-01-21 13:23:21 +00:00

__init__.py

Add test for quickrun

2022-10-03 14:38:26 -05:00

bad_transformation.json

update openfecli test files for new settings

2024-02-06 00:08:18 +00:00

rbfe_results.tar.gz

move test data to zenodo (#1148)

2025-02-21 10:19:15 -08:00

transformation.json

update openfecli test files for new settings

2024-02-06 00:08:18 +00:00