diff --git a/scripts/0 - trajectories.ipynb b/scripts/archive/0 - trajectories.ipynb
similarity index 100%
rename from scripts/0 - trajectories.ipynb
rename to scripts/archive/0 - trajectories.ipynb
diff --git a/scripts/adaptivesampling.jl b/scripts/archive/adaptivesampling.jl
similarity index 100%
rename from scripts/adaptivesampling.jl
rename to scripts/archive/adaptivesampling.jl
diff --git a/scripts/cmp_openmm_molly.jl b/scripts/archive/cmp_openmm_molly.jl
similarity index 100%
rename from scripts/cmp_openmm_molly.jl
rename to scripts/archive/cmp_openmm_molly.jl
diff --git a/scripts/dataconvergence.jl b/scripts/archive/dataconvergence.jl
similarity index 100%
rename from scripts/dataconvergence.jl
rename to scripts/archive/dataconvergence.jl
diff --git a/scripts/dataconvergence.png b/scripts/archive/dataconvergence.png
similarity index 100%
rename from scripts/dataconvergence.png
rename to scripts/archive/dataconvergence.png
diff --git a/scripts/eigenvalues.ipynb b/scripts/archive/eigenvalues.ipynb
similarity index 100%
rename from scripts/eigenvalues.ipynb
rename to scripts/archive/eigenvalues.ipynb
diff --git a/scripts/macro.jl b/scripts/archive/macro.jl
similarity index 100%
rename from scripts/macro.jl
rename to scripts/archive/macro.jl
diff --git a/scripts/runs.jl b/scripts/archive/runs.jl
similarity index 100%
rename from scripts/runs.jl
rename to scripts/archive/runs.jl
diff --git a/scripts/thesis.jl b/scripts/thesis.jl
deleted file mode 100644
index 3043732..0000000
--- a/scripts/thesis.jl
+++ /dev/null
@@ -1,30 +0,0 @@
-using Distributed
-
-# supposed to be running on 128 cores
-if ENV["SLURM_CPUS_PER_TASK"] == "128" && length(workers()) < 32
-    addprocs(32, env=["OPENBLAS_NUM_THREADS"=>"2"], exeflags="-t 4")
-end
-
-include("dataconvergence.jl")
-
-function thesis()
-
-    iso = IsoRun(
-            sim=MollyLangevin(
-                sys=PDB_ACEMD(),
-                dt=2e-3,
-                T=2e-1,
-                gamma=10.,
-                temp=200.),
-            loggers=[],
-            opt=AdamRegularized(1e-3,1e-3))
-
-    isos, refiso, chidata = expl_expl_tradeoff()
-    @save "scripts/thesis.jld2" isos refiso chidata
-    p = plot_dataconvergence(isos, chidata)
-    savefig("scripts/dataconvergence.png")
-
-    return (;isos, refiso, chidata, p)
-end
-
-#thesis()
diff --git a/scripts/trpcage.jl b/scripts/trpcage.jl
new file mode 100644
index 0000000..06e203b
--- /dev/null
+++ b/scripts/trpcage.jl
@@ -0,0 +1,7 @@
+sim = OpenMMSimulation(pdb="data/2jof-processed.pdb", forcefields=ISOKANN.OpenMM.FORCE_AMBER_IMPLICIT, features=ISOKANN.OpenMM.noHatoms("data/2jof-processed.pdb"), steps=100, temp=360)
+
+data = SimulationData(sim, nx=100, nk=8)
+
+iso = Iso2(data, model=pairnet(data, activation=Flux.swish, layers=4), gpu=true, opt=AdamRegularized(1e-4, 1e-5), minibatch=100, loggers=[ISOKANN.autoplot(10)])
+
+runadaptive!(iso, generations=1000, nx=3, cutoff=2000, iter=500, keepedges=true)
diff --git a/scripts/vgvadapt.jl b/scripts/vgvapg.jl
similarity index 100%
rename from scripts/vgvadapt.jl
rename to scripts/vgvapg.jl