docking-scripts

python scripts for processing surflex docking output

Name		Name	Last commit message	Last commit date
Latest commit History 18 Commits
Ana-Dock.py		Ana-Dock.py
DockingStats.py		DockingStats.py
GetActiveInactive-corr.py		GetActiveInactive-corr.py
GetActiveInactive-new2.py		GetActiveInactive-new2.py
GetActiveInactive-wontkill.py		GetActiveInactive-wontkill.py
OldDockingStats.py		OldDockingStats.py
PMF3D.py		PMF3D.py
README.md		README.md
all-paths-aucs-ci.py		all-paths-aucs-ci.py
aucs_pops.py		aucs_pops.py
aucs_pops_flux.py		aucs_pops_flux.py
bar-allpath.py		bar-allpath.py
bar.py		bar.py
bar_subplot_progress.py		bar_subplot_progress.py
bothtypes-xtal-pathbar.py		bothtypes-xtal-pathbar.py
check-best-rando.py		check-best-rando.py
check-best-targ.py		check-best-targ.py
check-best-types.py		check-best-types.py
check-best.py		check-best.py
check-worst.py		check-worst.py
compare-ef-aucs.py		compare-ef-aucs.py
compare-rand.py		compare-rand.py
enrich.py		enrich.py
eval-progress.py		eval-progress.py
evaltypes-xtal-pathbar.py		evaltypes-xtal-pathbar.py
fitting.py		fitting.py
new-format-ant.py		new-format-ant.py
new-format-rando-sample.py		new-format-rando-sample.py
new-format-rando.py		new-format-rando.py
new-format-targ.py		new-format-targ.py
new-format-type.py		new-format-type.py
new-format-xtal.py		new-format-xtal.py
new-format.py		new-format.py
new-pathbar.py		new-pathbar.py
plot-active-type-aucs.py		plot-active-type-aucs.py
plot-aucs.py		plot-aucs.py
plot-roc.py		plot-roc.py
plot-type-aucs.py		plot-type-aucs.py
select-bothtypes-pathbar.py		select-bothtypes-pathbar.py
xtal-new-format.py		xtal-new-format.py

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