Bindwell
diff --git a/‎CleanData.py
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diff --git a/‎Data-Preprocess.Py
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diff --git a/‎Diagrams/Graphs/Benchmark1k2101.png
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diff --git a/‎Diagrams/Graphs/CSARHiQ36.png
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diff --git a/‎Diagrams/Graphs/Test2016290.png
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diff --git a/‎Diagrams/Graphs/Train.png
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diff --git a/‎Diagrams/Graphs/Validation.png
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diff --git a/‎Diagrams/visualizations.ipynb
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diff --git a/‎WL Notebooks/Iterator.nb renamed to ‎WL Notebooks/ModelTrainer.nb b/‎WL Notebooks/Iterator.nb renamed to ‎WL Notebooks/ModelTrainer.nb
diff --git a/‎aligned_binding_sites.csv
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@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 1,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -30,7 +30,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 16,
+   "execution_count": 2,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -56,8 +56,8 @@
     "    main_ax.set(xlim=(0, 12), ylim=(0, 12))\n",
     "    main_ax.grid(True)\n",
     "    main_ax.plot([0, 12], [0, 12], 'k--')\n",
-    "    main_ax.set_xlabel('Predicted pKa', fontsize=12)\n",
-    "    main_ax.set_ylabel('Experimental pKa', fontsize=12)\n",
+    "    main_ax.set_xlabel('Predicted pKd', fontsize=12)\n",
+    "    main_ax.set_ylabel('Experimental pKd', fontsize=12)\n",
     "    main_ax.legend(loc='upper left')  # Adding the legend\n",
     "\n",
     "    x_hist_ax.hist(df.iloc[:, 0], bins=40, color=color, alpha=0.7)\n",