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Add dg analysis Build container image #552: Commit 59eb387 pushed by hannahbaumann
8m 45s septop_analysis
septop_analysis
8m 45s
Big rework to match more the CLI behaviour Build container image #551: Commit d686e69 pushed by hannahbaumann
10m 16s septop_analysis
septop_analysis
10m 16s
Add example result Build container image #550: Commit b830a2b pushed by hannahbaumann
7m 22s septop_analysis
septop_analysis
7m 22s
First pass at SepTop analysis notebook Build container image #549: Commit a20960f pushed by hannahbaumann
9m 22s septop_analysis
septop_analysis
9m 22s
Merge pull request #214 from OpenFreeEnergy/update_to_1.5.0 Build container image #548: Commit 6e9e4c7 pushed by IAlibay
8m 14s main
main
8m 14s
Update showcase/openfe_showcase.ipynb Build container image #547: Commit 2590641 pushed by atravitz
8m 9s update_to_1.5.0
update_to_1.5.0
8m 9s
Merge branch 'main' into update_to_1.5.0 Build container image #546: Commit d1f38f2 pushed by IAlibay
8m 23s update_to_1.5.0
update_to_1.5.0
8m 23s
Merge pull request #221 from OpenFreeEnergy/adapt_septop_restraint_se… Build container image #545: Commit aba2508 pushed by IAlibay
7m 23s main
main
7m 23s
Also adapt settings ABFE protocol Build container image #544: Commit 43049c6 pushed by hannahbaumann
7m 25s adapt_septop_restraint_settings
adapt_septop_restraint_settings
7m 25s
Fix broken test Build container image #543: Commit fddb5c5 pushed by hannahbaumann
7m 27s adapt_septop_restraint_settings
adapt_septop_restraint_settings
7m 27s
SepTop: Adapt host min/max distance Build container image #542: Commit 3f65928 pushed by hannahbaumann
7m 19s adapt_septop_restraint_settings
adapt_septop_restraint_settings
7m 19s
Merge pull request #219 from OpenFreeEnergy/septop_change_repeat Build container image #541: Commit 8afe723 pushed by IAlibay
7m 34s main
main
7m 34s
Change the protocol repeat settings to 1 Build container image #540: Commit 88318aa pushed by hannahbaumann
9m 32s septop_change_repeat
septop_change_repeat
9m 32s