Mercurial > repos > bgruening > flexynesis_plot
annotate flexynesis_plot.xml @ 2:3c5d82bf6e8a draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit 1afbaf45449e25238935e222f983da62392c067a
author | bgruening |
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date | Fri, 04 Jul 2025 14:57:52 +0000 |
parents | bb91bf19eb40 |
children | 52b6f2ac38c7 |
rev | line source |
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bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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changeset
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1 <tool id="flexynesis_plot" name="Flexynesis plot" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="@PROFILE@"> |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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2 <description>tool for visualizing flexynesis results</description> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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3 <macros> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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4 <import>macros.xml</import> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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changeset
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5 </macros> |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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6 <expand macro="requirements"/> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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7 <required_files> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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8 <include path="flexynesis_plot.py" /> |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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9 </required_files> |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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10 <command detect_errors="exit_code"><![CDATA[ |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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11 @CHECK_NON_COMMERCIAL_USE@ |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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12 mkdir -p inputs/ plots/ && |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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13 ln -s '$plot_conditional.labels' 'inputs/$plot_conditional.labels.element_identifier.$plot_conditional.labels.ext' && |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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changeset
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14 #if $plot_conditional.plot_type == "dimred": |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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15 ln -s '$plot_conditional.embeddings' 'inputs/$plot_conditional.embeddings.element_identifier.$plot_conditional.embeddings.ext' && |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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16 #end if |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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17 cat '$flexynesis_plot_config' && |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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18 python '$flexynesis_plot_config' |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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19 ]]></command> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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20 <configfiles> |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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changeset
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21 <configfile name="flexynesis_plot_config"><![CDATA[ |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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22 import sys |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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23 sys.path.append('$__tool_directory__/') |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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24 |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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25 import matplotlib.pyplot as plt |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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26 import numpy as np |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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27 import pandas as pd |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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28 import seaborn as sns |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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29 import torch |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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30 from flexynesis import ( |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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31 get_important_features, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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32 plot_dim_reduced, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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33 plot_hazard_ratios, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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34 plot_kaplan_meier_curves, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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35 plot_pr_curves, |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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36 plot_roc_curves, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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37 plot_scatter |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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38 ) |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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39 from scipy.stats import kruskal, mannwhitneyu |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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40 from flexynesis_plot import ( |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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41 plot_label_concordance_heatmap, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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42 plot_boxplot, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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43 detect_color_type, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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44 load_labels, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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45 load_embeddings, |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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46 match_samples_to_embeddings |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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47 ) |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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48 #if $plot_conditional.plot_type == "dimred": |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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49 @PLOT_COMMON_CONFIG@ |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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50 embeddings, sample_names = load_embeddings('inputs/$plot_conditional.embeddings.element_identifier.$plot_conditional.embeddings.ext') |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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51 matched_labels = match_samples_to_embeddings(sample_names, label_data) |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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52 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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53 label = matched_labels.columns[$plot_conditional.label-1] |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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54 color_type = detect_color_type(matched_labels[label]) |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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55 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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56 fig = plot_dim_reduced( |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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57 matrix=embeddings, |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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58 labels=matched_labels[label], |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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59 method='$plot_conditional.method', |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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60 color_type=color_type |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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61 ) |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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62 output_path = "plots/{label}_${plot_conditional.method}.${plot_conditional.format}" |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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63 fig.save(output_path, dpi=$plot_conditional.dpi, bbox_inches='tight') |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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64 #else if $plot_conditional.plot_type == "scatter": |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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65 @PLOT_COMMON_CONFIG@ |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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66 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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67 true_label = label_data.columns[$plot_conditional.true_label-1] |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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68 predicted_label = label_data.columns[$plot_conditional.predicted_label-1] |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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parents:
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69 true_values = pd.to_numeric(label_data[true_label], errors='coerce') |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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70 predicted_values = pd.to_numeric(label_data[predicted_label], errors='coerce') |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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71 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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72 if true_values.isna().all() or predicted_values.isna().all(): |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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73 raise ValueError("No valid numeric values found for known or predicted labels") |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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74 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
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75 fig = plot_scatter(true_values, predicted_values) |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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76 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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77 output_path = "plots/${plot_conditional.true_label}_${plot_conditional.predicted_label}_scatter.${plot_conditional.format}" |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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78 fig.save(output_path, dpi=$plot_conditional.dpi, bbox_inches='tight') |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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79 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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80 #else if $plot_conditional.plot_type == "concordance_heatmap": |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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81 @PLOT_COMMON_CONFIG@ |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
parents:
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82 |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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83 true_label = label_data.columns[$plot_conditional.true_label-1] |
bb91bf19eb40
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/flexynesis commit b2463fb68d0ae54864d87718ee72f5e063aa4587
bgruening
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84 predicted_label = label_data.columns[$plot_conditional.predicted_label-1] |
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85 |
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86 true_values = label_data[true_label].tolist() |
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87 predicted_values = label_data[predicted_label].tolist() |
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88 fig = plot_label_concordance_heatmap(true_values, predicted_values) |
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89 plt.close(fig) |
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90 output_path = "plots/{true_label}_{predicted_label}_concordance_heatmap.${plot_conditional.format}" |
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91 fig.savefig(output_path, dpi=$plot_conditional.dpi, bbox_inches='tight') |
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92 |
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93 #else if $plot_conditional.plot_type == "pr_curve": |
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94 @PR_ROC_CONFIG@ |
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95 |
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96 fig = plot_pr_curves(y_true_np, y_probs_np) |
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97 |
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98 output_path = "plots/pr_curves.${plot_conditional.format}" |
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99 fig.save(output_path, dpi=$plot_conditional.dpi, bbox_inches='tight') |
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100 |
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101 #else if $plot_conditional.plot_type == "roc_curve": |
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102 @PR_ROC_CONFIG@ |
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103 fig = plot_roc_curves(y_true_np, y_probs_np) |
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104 output_path = "plots/roc_curves.${plot_conditional.format}" |
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105 fig.save(output_path, dpi=$plot_conditional.dpi, bbox_inches='tight') |
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106 |
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107 #else if $plot_conditional.plot_type == "box_plot": |
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108 @PR_ROC_BOX_CONFIG@ |
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109 # Remove rows with missing data |
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110 clean_data = label_data.dropna(subset=['known_label', 'probability']) |
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111 |
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112 if clean_data.empty: |
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113 raise ValueError(" No valid data after cleaning") |
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114 |
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115 # Get unique classes |
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116 classes = clean_data['class_label'].unique() |
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117 |
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118 for class_label in classes: |
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119 print(f" Generating box plot for class: {class_label}") |
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120 |
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121 # Filter for current class |
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122 class_data = clean_data[clean_data['class_label'] == class_label] |
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123 |
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124 # Create the box plot |
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125 fig = plot_boxplot( |
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126 categorical_x=class_data['known_label'], |
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127 numerical_y=class_data['probability'], |
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128 title_x='True Label', |
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129 title_y=f'Predicted Probability ({class_label})', |
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130 ) |
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131 |
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132 # Save the plot |
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133 safe_class_name = str(class_label).replace('/', '_').replace('\\', '_').replace(' ', '_').replace(':', '_') |
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134 plt.close(fig) |
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135 |
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136 output_path = f"plots/box_plot_{safe_class_name}.${plot_conditional.format}" |
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137 fig.savefig(output_path, dpi=$plot_conditional.dpi, bbox_inches='tight') |
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138 #end if |
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139 ]]></configfile> |
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140 </configfiles> |
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141 <inputs> |
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142 <expand macro="commercial_use_param"/> |
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143 <conditional name="plot_conditional"> |
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144 <param name="plot_type" type="select" label="Flexynesis plot"> |
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145 <option value="dimred">Dimensionality reduction</option> |
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146 <option value="scatter">Scatter plot of known vs predicted labels</option> |
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147 <option value="concordance_heatmap">Label concordance heatmap</option> |
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148 <option value="pr_curve">Precision-recall curves</option> |
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149 <option value="roc_curve">ROC curves</option> |
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150 <option value="box_plot">Box plot</option> |
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151 </param> |
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152 <when value="dimred"> |
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153 <expand macro="plots_common_param"> |
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154 <expand macro="plots_common_input"/> |
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155 <param argument="--embeddings" type="data" format="tabular" label="Embeddings" help="Generated by flexynesis"/> |
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156 <param argument="--label" type="data_column" data_ref="labels" label="Column in the labels file to use for coloring the points in the plot"/> |
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157 <param name="method" type="select" label="Transformation method"> |
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158 <option value="pca" selected="true">PCA</option> |
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159 <option value="umap">UMAP</option> |
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160 </param> |
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161 </expand> |
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162 </when> |
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163 <when value="scatter"> |
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164 <expand macro="plots_common_param"> |
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165 <expand macro="plots_common_input"/> |
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166 <param name="true_label" type="data_column" data_ref="labels" label="Column name in the labels file to use for the true labels"/> |
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167 <param name="predicted_label" type="data_column" data_ref="labels" label="Column name in the labels file to use for the predicted labels"/> |
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168 </expand> |
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169 </when> |
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170 <when value="concordance_heatmap"> |
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171 <expand macro="plots_common_param"> |
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172 <expand macro="plots_common_input"/> |
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173 <param name="true_label" type="data_column" data_ref="labels" label="Column name in the labels file to use for the true labels"/> |
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174 <param name="predicted_label" type="data_column" data_ref="labels" label="Column name in the labels file to use for the predicted labels"/> |
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175 </expand> |
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176 </when> |
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177 <when value="pr_curve"> |
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178 <expand macro="plots_common_param"> |
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179 <expand macro="plots_common_input"/> |
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180 </expand> |
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181 </when> |
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182 <when value="roc_curve"> |
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183 <expand macro="plots_common_param"> |
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184 <expand macro="plots_common_input"/> |
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185 </expand> |
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186 </when> |
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187 <when value="box_plot"> |
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188 <expand macro="plots_common_param"> |
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189 <expand macro="plots_common_input"/> |
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190 </expand> |
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191 </when> |
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192 </conditional> |
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193 </inputs> |
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194 <outputs> |
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195 <data name="plot_out" auto_format="true" from_work_dir="plots/*" label="${tool.name} on ${on_string}: ${plot_conditional.plot_type}"> |
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196 <filter>plot_conditional['plot_type'] != "box_plot"</filter> |
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197 </data> |
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198 <collection name="boxplot_out" type="list" label="${tool.name} on ${on_string}: box_plot"> |
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199 <discover_datasets pattern="__name_and_ext__" directory="plots/"/> |
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200 <filter>plot_conditional['plot_type'] == "box_plot"</filter> |
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201 </collection> |
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202 </outputs> |
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203 <tests> |
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204 <!-- test 1: dimred --> |
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205 <test expect_num_outputs="1"> |
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206 <param name="non_commercial_use" value="True"/> |
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207 <conditional name="plot_conditional"> |
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208 <param name="plot_type" value="dimred"/> |
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209 <param name="embeddings" value="embeddings.tabular"/> |
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210 <param name="label" value="6"/> |
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211 <param name="method" value="pca"/> |
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212 <param name="labels" value="labels.tabular"/> |
0
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213 <param name="format" value="jpg"/> |
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214 <param name="dpi" value="300"/> |
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215 </conditional> |
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216 <output name="plot_out"> |
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217 <assert_contents> |
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218 <has_image_center_of_mass center_of_mass="970,733" eps="50"/> |
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219 <has_image_channels channels="3"/> |
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220 <has_image_height height="1461" delta="50"/> |
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221 <has_image_width width="1941" delta="50"/> |
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222 </assert_contents> |
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223 </output> |
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224 </test> |
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225 <!-- test 2: scatter --> |
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226 <test expect_num_outputs="1"> |
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227 <param name="non_commercial_use" value="True"/> |
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228 <conditional name="plot_conditional"> |
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229 <param name="plot_type" value="scatter"/> |
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230 <param name="labels" value="labels_scatter.tabular"/> |
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231 <param name="true_label" value="5"/> |
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232 <param name="predicted_label" value="6"/> |
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233 <param name="format" value="jpg"/> |
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234 <param name="dpi" value="300"/> |
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235 </conditional> |
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236 <output name="plot_out"> |
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237 <assert_contents> |
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238 <has_image_center_of_mass center_of_mass="970,733" eps="50"/> |
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239 <has_image_channels channels="3"/> |
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240 <has_image_height height="1461" delta="50"/> |
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241 <has_image_width width="1941" delta="50"/> |
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242 </assert_contents> |
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243 </output> |
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244 </test> |
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245 <!-- test 3: concordance_heatmap --> |
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246 <test expect_num_outputs="1"> |
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247 <param name="non_commercial_use" value="True"/> |
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248 <conditional name="plot_conditional"> |
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249 <param name="plot_type" value="concordance_heatmap"/> |
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250 <param name="labels" value="labels.tabular"/> |
0
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251 <param name="true_label" value="5"/> |
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252 <param name="predicted_label" value="6"/> |
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253 <param name="format" value="jpg"/> |
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254 <param name="dpi" value="300"/> |
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255 </conditional> |
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256 <output name="plot_out"> |
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257 <assert_contents> |
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258 <has_image_center_of_mass center_of_mass="1450,1310" eps="50"/> |
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259 <has_image_channels channels="3"/> |
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260 <has_image_height height="2558" delta="50"/> |
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261 <has_image_width width="2770" delta="50"/> |
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262 </assert_contents> |
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263 </output> |
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264 </test> |
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265 <!-- test 4: pr_curve --> |
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266 <test expect_num_outputs="1"> |
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267 <param name="non_commercial_use" value="True"/> |
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268 <conditional name="plot_conditional"> |
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269 <param name="plot_type" value="pr_curve"/> |
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270 <param name="labels" value="labels_pr.tabular"/> |
0
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271 <param name="format" value="jpg"/> |
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272 <param name="dpi" value="300"/> |
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273 </conditional> |
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274 <output name="plot_out"> |
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275 <assert_contents> |
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276 <has_image_center_of_mass center_of_mass="970,733" eps="50"/> |
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277 <has_image_channels channels="3"/> |
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278 <has_image_height height="1461" delta="50"/> |
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279 <has_image_width width="1941" delta="50"/> |
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280 </assert_contents> |
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281 </output> |
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282 </test> |
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283 <!-- test 5: roc_curve --> |
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284 <test expect_num_outputs="1"> |
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285 <param name="non_commercial_use" value="True"/> |
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286 <conditional name="plot_conditional"> |
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287 <param name="plot_type" value="roc_curve"/> |
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288 <param name="labels" value="labels_pr.tabular"/> |
0
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289 <param name="format" value="jpg"/> |
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290 <param name="dpi" value="300"/> |
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291 </conditional> |
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292 <output name="plot_out"> |
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293 <assert_contents> |
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294 <has_image_center_of_mass center_of_mass="970,733" eps="50"/> |
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295 <has_image_channels channels="3"/> |
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296 <has_image_height height="1461" delta="50"/> |
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297 <has_image_width width="1941" delta="50"/> |
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298 </assert_contents> |
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299 </output> |
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300 </test> |
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301 <!-- test 6: box_plot --> |
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302 <test expect_num_outputs="1"> |
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303 <param name="non_commercial_use" value="True"/> |
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304 <conditional name="plot_conditional"> |
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305 <param name="plot_type" value="box_plot"/> |
2
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306 <param name="labels" value="labels_pr.tabular"/> |
0
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307 <param name="format" value="jpg"/> |
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308 <param name="dpi" value="300"/> |
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309 </conditional> |
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310 <output_collection name="boxplot_out" type="list" count="7"> |
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311 <element name="box_plot_Basal"> |
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312 <assert_contents> |
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313 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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314 <has_image_channels channels="3"/> |
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315 <has_image_height height="1783" delta="20"/> |
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316 <has_image_width width="2967" delta="20"/> |
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317 </assert_contents> |
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318 </element> |
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319 <element name="box_plot_Her2"> |
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320 <assert_contents> |
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321 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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322 <has_image_channels channels="3"/> |
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323 <has_image_height height="1765" delta="20"/> |
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324 <has_image_width width="2967" delta="20"/> |
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325 </assert_contents> |
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326 </element> |
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327 <element name="box_plot_LumA"> |
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328 <assert_contents> |
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329 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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330 <has_image_channels channels="3"/> |
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331 <has_image_height height="1783" delta="20"/> |
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332 <has_image_width width="2967" delta="20"/> |
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333 </assert_contents> |
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334 </element> |
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335 <element name="box_plot_LumB"> |
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336 <assert_contents> |
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337 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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338 <has_image_channels channels="3"/> |
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339 <has_image_height height="1783" delta="20"/> |
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340 <has_image_width width="2967" delta="20"/> |
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341 </assert_contents> |
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342 </element> |
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343 <element name="box_plot_NC"> |
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344 <assert_contents> |
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345 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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346 <has_image_channels channels="3"/> |
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347 <has_image_height height="1783" delta="20"/> |
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348 <has_image_width width="2967" delta="20"/> |
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349 </assert_contents> |
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350 </element> |
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351 <element name="box_plot_Normal"> |
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352 <assert_contents> |
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353 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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354 <has_image_channels channels="3"/> |
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355 <has_image_height height="1783" delta="20"/> |
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356 <has_image_width width="2967" delta="20"/> |
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357 </assert_contents> |
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358 </element> |
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359 <element name="box_plot_claudin-low"> |
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360 <assert_contents> |
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361 <has_image_center_of_mass center_of_mass="1485,882" eps="20"/> |
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362 <has_image_channels channels="3"/> |
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363 <has_image_height height="1783" delta="20"/> |
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364 <has_image_width width="2967" delta="20"/> |
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365 </assert_contents> |
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366 </element> |
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367 </output_collection> |
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368 </test> |
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369 </tests> |
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370 <help><![CDATA[ |
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371 @COMMON_HELP@ |
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372 |
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373 Flexynesis plot is a comprehensive visualization tool designed to create various types of plots for analyzing machine learning results from the Flexynesis framework. This tool supports multiple visualization types to help researchers understand their data and model performance. |
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374 |
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375 Available plot types include: |
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376 |
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377 - **Dimensionality Reduction:** Visualizes high-dimensional data in a lower-dimensional space using methods like PCA or UMAP. |
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378 - **Scatter Plot:** Compares known and predicted labels to assess model performance. |
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379 - **Label Concordance Heatmap:** Displays the agreement between true and predicted labels in a heatmap format. |
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380 - **Precision-Recall Curves:** Plots precision against recall to evaluate the trade-off between these metrics. |
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381 - **ROC Curves:** Visualizes the true positive rate against the false positive rate to assess model discrimination. |
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382 - **Box Plot:** Shows the distribution of predicted probabilities across different classes, highlighting medians and quartiles. |
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383 |
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384 |
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385 **Input Files** |
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386 |
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387 Main common input file is the labels file, which is the predicted labels file generated by Flexynesis. It should contain the following columns: |
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388 |
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389 - `sample_id`: Unique identifier for each sample. |
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390 - `variable`: The target variable used for the analysis. |
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391 - `class_label`: The class labels for the samples, used in box plots. |
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392 - `probability`: The predicted probabilities for the labels. |
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393 - `known_label`: The true labels for the samples, used in scatter plots and concordance heatmaps. |
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394 - `predicted_label`: The labels predicted by the Flexynesis model, used in scatter plots and concordance heatmaps. |
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395 |
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396 |
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397 For dimensionality reduction plots, an additional embeddings file is required, which contains the reduced-dimensional representations of the samples. This file is generated by Flexynesis. |
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398 |
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399 |
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400 .. class:: warningmark |
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401 |
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402 PR and ROC curves can only be applied on classification tasks! |
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403 |
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404 |
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405 .. _Documentation: https://bimsbstatic.mdc-berlin.de/akalin/buyar/flexynesis/site/ |
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406 .. _copyright holders: https://github.com/BIMSBbioinfo/flexynesis |
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407 ]]></help> |
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408 <expand macro="creator"/> |
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409 <expand macro="citations"/> |
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410 </tool> |