add eval

.idea/workspace.xml

@@ -3,11 +3,7 @@
   <component name="ChangeListManager">
     <list default="true" id="f877ac68-9cea-46d8-9125-207eebe5b5d6" name="Default Changelist" comment="">
       <change beforePath="$PROJECT_DIR$/.idea/workspace.xml" beforeDir="false" afterPath="$PROJECT_DIR$/.idea/workspace.xml" afterDir="false" />
-      <change beforePath="$PROJECT_DIR$/pre_test.sh" beforeDir="false" afterPath="$PROJECT_DIR$/pre_test.sh" afterDir="false" />
-      <change beforePath="$PROJECT_DIR$/predict/lr-1e-6-batch-64-layer3/results.txt" beforeDir="false" />
-      <change beforePath="$PROJECT_DIR$/predict/test/results.txt" beforeDir="false" />
-      <change beforePath="$PROJECT_DIR$/predict/test/test.txt" beforeDir="false" />
-      <change beforePath="$PROJECT_DIR$/run_interaction.py" beforeDir="false" afterPath="$PROJECT_DIR$/run_interaction.py" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/eval.py" beforeDir="false" afterPath="$PROJECT_DIR$/eval.py" afterDir="false" />
     </list>
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
@@ -33,7 +29,29 @@
     <property name="WebServerToolWindowFactoryState" value="false" />
     <property name="restartRequiresConfirmation" value="false" />
   </component>
-  <component name="RunManager">
+  <component name="RunManager" selected="Python.eval">
+    <configuration name="eval" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+      <module name="CPI" />
+      <option name="INTERPRETER_OPTIONS" value="" />
+      <option name="PARENT_ENVS" value="true" />
+      <envs>
+        <env name="PYTHONUNBUFFERED" value="1" />
+      </envs>
+      <option name="SDK_HOME" value="" />
+      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$" />
+      <option name="IS_MODULE_SDK" value="true" />
+      <option name="ADD_CONTENT_ROOTS" value="true" />
+      <option name="ADD_SOURCE_ROOTS" value="true" />
+      <EXTENSION ID="PythonCoverageRunConfigurationExtension" runner="coverage.py" />
+      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/eval.py" />
+      <option name="PARAMETERS" value="" />
+      <option name="SHOW_COMMAND_LINE" value="false" />
+      <option name="EMULATE_TERMINAL" value="false" />
+      <option name="MODULE_MODE" value="false" />
+      <option name="REDIRECT_INPUT" value="false" />
+      <option name="INPUT_FILE" value="" />
+      <method v="2" />
+    </configuration>
     <configuration name="run_interaction" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
       <module name="CPI" />
       <option name="INTERPRETER_OPTIONS" value="" />
@@ -58,6 +76,7 @@
     </configuration>
     <recent_temporary>
       <list>
+        <item itemvalue="Python.eval" />
         <item itemvalue="Python.run_interaction" />
       </list>
     </recent_temporary>
@@ -89,6 +108,7 @@
     </option>
   </component>
   <component name="com.intellij.coverage.CoverageDataManagerImpl">
+    <SUITE FILE_PATH="coverage/CPI$eval.coverage" NAME="eval Coverage Results" MODIFIED="1618307776551" SOURCE_PROVIDER="com.intellij.coverage.DefaultCoverageFileProvider" RUNNER="coverage.py" COVERAGE_BY_TEST_ENABLED="true" COVERAGE_TRACING_ENABLED="false" WORKING_DIRECTORY="$PROJECT_DIR$" />
     <SUITE FILE_PATH="coverage/CPI$run_interaction.coverage" NAME="run_interaction Coverage Results" MODIFIED="1618133791228" SOURCE_PROVIDER="com.intellij.coverage.DefaultCoverageFileProvider" RUNNER="coverage.py" COVERAGE_BY_TEST_ENABLED="true" COVERAGE_TRACING_ENABLED="false" WORKING_DIRECTORY="$PROJECT_DIR$" />
   </component>
 </project>
\ No newline at end of file

eval.py

+import numpy as np
 
 
-def eval()
\ No newline at end of file
+def eval_result(pred, label):
+    pred = np.array(pred)
+    label = np.array(label)
+    num = len(pred)
+    diff = pred - label
+    mse = np.sum(np.power(diff, 2)) / num
+    rmse = np.sqrt(mse)
+    pearson_co = np.corrcoef(pred, label)
+
+    return rmse, pearson_co
+
+
+def eval(pred_path, label_path):
+    with open(pred_path, 'r') as f:
+        pred = f.readlines()
+        pred = [float(i.strip()) for i in pred]
+    with open(label_path, 'r') as f:
+        label = f.readlines()
+        label = [float(i.strip()) for i in label]
+    remse, r_mat = eval_result(pred, label)
+    r = r_mat[0, 1]
+    save_path = pred_path.replace('test.txt', 'eval_results')
+    with open(save_path, 'w') as f:
+        f.write('RMSE : {} ; Pearson Correlation Coefficient : {}'.format(remse, r))
+    print('RMSE : {} ; Pearson Correlation Coefficient : {}'.format(remse, r))
+
+
+if __name__ == '__main__':
+    pred_result = './predict/lr-1e-6-batch-64-layer3-0411-2-9439/test.txt'
+    test_label_path = './data/test_ic50'
+    eval(pred_result, test_label_path)