feat: add .idea files

.idea/.gitignore

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+# Default ignored files
+/shelf/
+/workspace.xml
+# Editor-based HTTP Client requests
+/httpRequests/
+# Datasource local storage ignored files
+/dataSources/
+/dataSources.local.xml

.idea/QSARion.iml

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+<?xml version="1.0" encoding="UTF-8"?>
+<module type="PYTHON_MODULE" version="4">
+  <component name="NewModuleRootManager">
+    <content url="file://$MODULE_DIR$">
+      <excludeFolder url="file://$MODULE_DIR$/.venv" />
+    </content>
+    <orderEntry type="inheritedJdk" />
+    <orderEntry type="sourceFolder" forTests="false" />
+  </component>
+  <component name="PyDocumentationSettings">
+    <option name="format" value="PLAIN" />
+    <option name="myDocStringFormat" value="Plain" />
+  </component>
+  <component name="TestRunnerService">
+    <option name="PROJECT_TEST_RUNNER" value="py.test" />
+  </component>
+</module>

.idea/inspectionProfiles/Project_Default.xml

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+<component name="InspectionProjectProfileManager">
+  <profile version="1.0">
+    <option name="myName" value="Project Default" />
+    <inspection_tool class="PyPackageRequirementsInspection" enabled="true" level="WARNING" enabled_by_default="true">
+      <option name="ignoredPackages">
+        <value>
+          <list size="1">
+            <item index="0" class="java.lang.String" itemvalue="pre-commit" />
+          </list>
+        </value>
+      </option>
+    </inspection_tool>
+  </profile>
+</component>

.idea/inspectionProfiles/profiles_settings.xml

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+<component name="InspectionProjectProfileManager">
+  <settings>
+    <option name="USE_PROJECT_PROFILE" value="false" />
+    <version value="1.0" />
+  </settings>
+</component>

.idea/material_theme_project_new.xml

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+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="MaterialThemeProjectNewConfig">
+    <option name="metadata">
+      <MTProjectMetadataState>
+        <option name="migrated" value="true" />
+        <option name="pristineConfig" value="false" />
+        <option name="userId" value="-7386b7c9:1863070fe2e:-8000" />
+        <option name="version" value="8.4.1" />
+      </MTProjectMetadataState>
+    </option>
+  </component>
+</project>

.idea/misc.xml

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+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="Black">
+    <option name="sdkName" value="Python 3.11 (QSARion)" />
+  </component>
+  <component name="ProjectRootManager" version="2" project-jdk-name="Python 3.11 (QSARion)" project-jdk-type="Python SDK" />
+</project>

.idea/modules.xml

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+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="ProjectModuleManager">
+    <modules>
+      <module fileurl="file://$PROJECT_DIR$/.idea/QSARion.iml" filepath="$PROJECT_DIR$/.idea/QSARion.iml" />
+    </modules>
+  </component>
+</project>

.idea/ruff.xml

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+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="RuffConfigService">
+    <option name="projectRuffExecutablePath" value="$PROJECT_DIR$/../jaqpotpy-inference/venv/bin/ruff" />
+  </component>
+</project>

.idea/vcs.xml

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+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="VcsDirectoryMappings">
+    <mapping directory="" vcs="Git" />
+  </component>
+</project>