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update surupath, fix plot2
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axsk committed Feb 23, 2024
1 parent b55c665 commit 426f809
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Showing 2 changed files with 4 additions and 4 deletions.
6 changes: 3 additions & 3 deletions scripts/papersuru.jl
Original file line number Diff line number Diff line change
Expand Up @@ -5,12 +5,12 @@ using Random
using Plots, JLD2

# TODO: update to current data dir
datapath = "/data/numerik/ag_cmd/trajectory_transfers_for_isokann/data/Feb16_data_for_paper_disulfide_sims"
dataprefix = "/data/numerik/ag_cmd/trajectory_transfers_for_isokann/data/Feb19_data_for_paper_2024/des_prod_7UL4_159_251_disulfide_100ns_extension_replica__"

function papersuru(n=30_000, datapath=datapath)
function papersuru(n=30_000; dataprefix=dataprefix)
Random.seed!(42) # TODO: unfortunately not working - fix it

links = [DataLink("$datapath/_$i") for i in 1:10]
links = [DataLink("$dataprefix$i") for i in 1:10]

mu = isokann(links, learnrate=1e-4, regularization=1e-2)

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2 changes: 1 addition & 1 deletion src/plots.jl
Original file line number Diff line number Diff line change
Expand Up @@ -70,7 +70,7 @@ function plot_chi(xs, chi)
elseif size(xs, 1) == 66
scatter_ramachandran(xs, chi)
else
scatter(chi)
scatter(chi')
end
end

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