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Fixup mypy matplotlib
cleanup caches by a branch #165: Pull request #575 closed by richardjgowers
October 10, 2023 08:24 16s fixup_mypy_matplotlib
October 10, 2023 08:24 16s
Switch to a unified Sphinx theme
cleanup caches by a branch #164: Pull request #563 closed by richardjgowers
October 5, 2023 10:32 20s ofe_theme
October 5, 2023 10:32 20s
Improve error message if missing one leg for ligand pair
cleanup caches by a branch #163: Pull request #568 closed by mikemhenry
September 26, 2023 19:29 18s gather-error-msg
September 26, 2023 19:29 18s
Tests: Test coverage for RFE ProtocolResult
cleanup caches by a branch #162: Pull request #560 closed by richardjgowers
September 22, 2023 09:56 18s rfe_protocolresult_tests
September 22, 2023 09:56 18s
Added missing nc file
cleanup caches by a branch #161: Pull request #562 closed by mikemhenry
September 19, 2023 14:44 14s fix_missing_nc_file
September 19, 2023 14:44 14s
Fix energy results out
cleanup caches by a branch #160: Pull request #556 closed by IAlibay
September 15, 2023 13:47 12s fix_energy_results_out
September 15, 2023 13:47 12s
[WIP] Fix RTHP results serialization and test results load
cleanup caches by a branch #159: Pull request #550 closed by richardjgowers
September 14, 2023 16:49 21s test-puresult
September 14, 2023 16:49 21s
Add Zenodo badge to README
cleanup caches by a branch #158: Pull request #555 closed by richardjgowers
September 14, 2023 10:48 13s richardjgowers-patch-1
September 14, 2023 10:48 13s
Update CITATION.cff
cleanup caches by a branch #157: Pull request #554 closed by richardjgowers
September 14, 2023 10:45 17s richardjgowers-patch-1
September 14, 2023 10:45 17s
Log system probe info
cleanup caches by a branch #156: Pull request #513 closed by richardjgowers
September 14, 2023 10:36 18s sysprobe-logging
September 14, 2023 10:36 18s
don't include central ligand self edge in radial networks
cleanup caches by a branch #155: Pull request #546 closed by richardjgowers
September 14, 2023 10:36 15s issue_544_radial_self_central
September 14, 2023 10:36 15s
ci: update to use setup-micromamba
cleanup caches by a branch #154: Pull request #552 closed by richardjgowers
September 14, 2023 09:21 15s update_CI
September 14, 2023 09:21 15s
Update CITATION.cff
cleanup caches by a branch #153: Pull request #553 closed by richardjgowers
September 14, 2023 09:19 16s richardjgowers-patch-1
September 14, 2023 09:19 16s
Fix Zenodo
cleanup caches by a branch #152: Pull request #547 closed by richardjgowers
September 14, 2023 09:11 15s mikemhenry-patch-1
September 14, 2023 09:11 15s
fix forwards/backwards analysis for very small files
cleanup caches by a branch #151: Pull request #545 closed by richardjgowers
September 7, 2023 14:59 21s forward_backward_fix
September 7, 2023 14:59 21s
Analysing free energies
cleanup caches by a branch #150: Pull request #531 closed by richardjgowers
September 6, 2023 12:09 22s fe_results
September 6, 2023 12:09 22s
test pydantic v2
cleanup caches by a branch #149: Pull request #541 closed by mikemhenry
September 1, 2023 21:04 1m 14s feat/support_pydantic_v1_v2_for_real
September 1, 2023 21:04 1m 14s
docs: fixup typo in tutorial links
cleanup caches by a branch #148: Pull request #542 closed by richardjgowers
August 31, 2023 13:47 15s docs_fixup
August 31, 2023 13:47 15s
network_from_indices raises warning on disconnected network
cleanup caches by a branch #147: Pull request #514 closed by richardjgowers
August 30, 2023 08:30 12s warn_on_nonconnected
August 30, 2023 08:30 12s
Rejuvenate API refs
cleanup caches by a branch #146: Pull request #527 closed by richardjgowers
August 30, 2023 07:21 17s more_api_refs
August 30, 2023 07:21 17s
support pydantic v1 and v2
cleanup caches by a branch #145: Pull request #540 closed by richardjgowers
August 30, 2023 05:30 44s feat/support_pydantic_v1_v2
August 30, 2023 05:30 44s
rework handle_trajectories to use replicas
cleanup caches by a branch #144: Pull request #539 closed by richardjgowers
August 29, 2023 16:41 15s handle_trajectories_replicas
August 29, 2023 16:41 15s
remove LigandNetwork
cleanup caches by a branch #143: Pull request #536 closed by richardjgowers
August 29, 2023 10:24 18s remove_ligandnetwork
August 29, 2023 10:24 18s
Cookbook flowchart
cleanup caches by a branch #142: Pull request #520 closed by Yoshanuikabundi
August 29, 2023 03:58 13s cookbook-flowchart
August 29, 2023 03:58 13s
add flaky marker to test_dry_run_user_charges
cleanup caches by a branch #141: Pull request #537 closed by IAlibay
August 28, 2023 15:55 17s test_dry_run_user_charges_flakey
August 28, 2023 15:55 17s