update gitignore and update plot generation

DrugBud-Suite · Jul 22, 2024 · 197f940 · 197f940
1 parent 438e916
commit 197f940
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Showing 3 changed files with 199 additions and 128 deletions.
diff --git a/.gitignore b/.gitignore
@@ -183,3 +183,6 @@ PolA.ipynb
 CACHE5.ipynb
 PolA2.ipynb
 TRPM5.ipynb
+results/DUD-E_RESULTS/results_dockm8_AUC_ROC.csv
+results/DUD-E_RESULTS/results_dockm8_AUC.csv
+results/DUD-E_RESULTS/results_dockm8_BEDROC.csv
diff --git a/results/DUD-E_RESULTS/DUDE_all_models_plot.ipynb b/results/DUD-E_RESULTS/DUDE_all_models_plot.ipynb
diff --git a/results/Lit-PCBA_RESULTS/LIT-PCBA_all_models_plot.ipynb b/results/Lit-PCBA_RESULTS/LIT-PCBA_all_models_plot.ipynb
@@ -2,7 +2,7 @@
  "cells": [
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-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
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@@ -14,7 +14,7 @@
   },
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-   "execution_count": 2,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -68,7 +68,7 @@
   },
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-   "execution_count": 3,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -109,7 +109,7 @@
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-   "execution_count": 4,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
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@@ -169,7 +169,7 @@
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-   "execution_count": 5,
+   "execution_count": null,
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@@ -223,7 +223,7 @@
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+   "execution_count": null,
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@@ -262,7 +262,7 @@
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+   "execution_count": null,
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@@ -316,7 +316,7 @@
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+   "execution_count": null,
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@@ -355,7 +355,7 @@
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+   "execution_count": null,
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@@ -383,7 +383,7 @@
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-   "execution_count": 10,
+   "execution_count": null,
    "metadata": {},
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@@ -422,7 +422,7 @@
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+   "execution_count": null,
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@@ -435,7 +435,7 @@
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+   "execution_count": null,
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@@ -473,7 +473,7 @@
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+   "execution_count": null,
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@@ -541,7 +541,7 @@
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+   "execution_count": null,
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@@ -557,7 +557,7 @@
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-   "execution_count": 15,
+   "execution_count": null,
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@@ -596,7 +596,7 @@
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+   "execution_count": null,
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    "source": [
@@ -610,7 +610,7 @@
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+   "execution_count": null,
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@@ -649,7 +649,7 @@
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+   "execution_count": null,
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@@ -717,7 +717,7 @@
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+   "execution_count": null,
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@@ -731,7 +731,7 @@
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-   "execution_count": 20,
+   "execution_count": null,
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     {
@@ -768,7 +768,7 @@
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-   "execution_count": 21,
+   "execution_count": null,
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    "source": [
@@ -782,7 +782,7 @@
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    "cell_type": "code",
-   "execution_count": 22,
+   "execution_count": null,
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@@ -819,7 +819,7 @@
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-   "execution_count": 23,
+   "execution_count": null,
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     {
@@ -887,7 +887,7 @@
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-   "execution_count": 24,
+   "execution_count": null,
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    "source": [
@@ -918,7 +918,7 @@
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    "cell_type": "code",
-   "execution_count": 25,
+   "execution_count": null,
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     {
@@ -955,7 +955,7 @@
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   {
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-   "execution_count": 26,
+   "execution_count": null,
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    "source": [
@@ -972,7 +972,7 @@
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-   "execution_count": 27,
+   "execution_count": null,
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     {
@@ -1008,7 +1008,7 @@
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-   "execution_count": 28,
+   "execution_count": null,
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@@ -1025,7 +1025,7 @@
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-   "execution_count": 29,
+   "execution_count": null,
    "metadata": {},
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     {
@@ -1087,7 +1087,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.1.-1"
+   "version": "3.10.14"
   }
  },
  "nbformat": 4,