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Prolif class implementation #88
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93d39f5
added prolif in environment.yml
talagayev 5f48f14
black format
talagayev 2ae6357
modified for AnalysisBase
talagayev 976722d
black formatting
talagayev abed811
added tests
talagayev 47060fb
Merge branch 'main' into prolif_class_implementation
talagayev 445feb8
Added 2D visualizationa and adressed comments
talagayev a673636
Added tests
talagayev bf4723a
added args for selection
talagayev 3e9a2b4
black formatting
talagayev 76b87f4
Merge branch 'main' into prolif_class_implementation
talagayev 990c86f
adjusted test error
talagayev d964589
Merge branch 'prolif_class_implementation' of https://github.com/Open…
talagayev 23e218b
adjusted tests
talagayev 2d1f22e
adjusted code to add additional visualization and changed the wrapper
talagayev 81a3fa9
Merge branch 'main' into prolif_class_implementation
talagayev 15e8620
Merge branch 'main' into prolif_class_implementation
hannahbaumann 76037b5
Merge branch 'main' into prolif_class_implementation
talagayev 0d8779a
Moving plots to plotting
talagayev a210c3f
Adjusting style
talagayev 7ee7b5f
Merge branch 'main' of https://github.com/OpenFreeEnergy/openfe_analy…
talagayev f0607af
Added dependency
talagayev b4c1d4c
Moved plots and adressed issues
talagayev 6702ad5
Adding tests and fixing issues
talagayev dabbbc5
Merge branch 'main' into prolif_class_implementation
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
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@@ -8,6 +8,7 @@ dependencies: | |
| - openff-units | ||
| - pip | ||
| - tqdm | ||
| - prolif | ||
| - pyyaml | ||
| # for testing | ||
| - coverage | ||
|
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||
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