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Data and experiments for an upcoming manuscript
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scripts
Mode
Name
Size
-rwxr-xr-x
confusion-matrix.rb
280
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plain
-rwxr-xr-x
cv-summary.rb
963
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-rwxr-xr-x
data.rb
1947
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-rwxr-xr-x
lazar-cv-predictions.rb
1043
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lazar-pa-predictions.rb
222
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-rwxr-xr-x
mp2d-fingerprints.rb
432
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-rwxr-xr-x
pa-fingerprints.rb
604
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-rwxr-xr-x
pa-groups.R
932
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-rwxr-xr-x
pa-lazar-padel-model.rb
1928
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-rwxr-xr-x
pa-predictions-latex.rb
2243
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-rwxr-xr-x
pa-predictions.rb
428
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-rwxr-xr-x
pa-smiles.rb
123
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-rwxr-xr-x
pa-summary-table.rb
3100
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-rwxr-xr-x
pa-summary.rb
819
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-rwxr-xr-x
roc.R
1383
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-rwxr-xr-x
roc.rb
222
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-rwxr-xr-x
sanitize-pa-data.rb
1919
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-rwxr-xr-x
summary2table.rb
1138
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-rwxr-xr-x
tensorflow-cv-predictions.rb
686
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-rwxr-xr-x
tensorflow-pa-predictions.rb
561
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-rw-r--r--
tsne-cdk-coordinates.R
323
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-rwxr-xr-x
tsne-cdk-descriptors.rb
722
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-rwxr-xr-x
tsne-cdk.R
806
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-rw-r--r--
tsne-mp2d-coordinates.R
339
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-rwxr-xr-x
tsne-mp2d-distances.rb
595
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-rwxr-xr-x
tsne-mutagenicity.R
608
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-rwxr-xr-x
tsne-mutagenicity.rb
462
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