Separate library and application layer (move notebooks to docs/). Make ligand_analysis available from within library.
I will not update the notebooks, since most of them were extended and improved for our KinFragLib repo (thus, we could also remove the docs/notebooks folder at some point).
Todos
[x] Move notebooks from kinase_focused_fragment_library/analysis/ to docs/notebooks
[x] Extract all library files from kinase_focused_fragment_library/analysis/ligand_analysis and move to module kinase_focused_fragment_library/ligand_analysis
[x] Clean up kinase_focused_fragment_library/ligand_analysis scripts: Merge functions in utils.py and analyze.py script; make cli.py less verbose.
Description
Separate library and application layer (move notebooks to
docs/). Makeligand_analysisavailable from within library.I will not update the notebooks, since most of them were extended and improved for our KinFragLib repo (thus, we could also remove the
docs/notebooksfolder at some point).Todos
kinase_focused_fragment_library/analysis/todocs/notebookskinase_focused_fragment_library/analysis/ligand_analysisand move to modulekinase_focused_fragment_library/ligand_analysiskinase_focused_fragment_library/ligand_analysisscripts: Merge functions inutils.pyandanalyze.pyscript; makecli.pyless verbose.Status