Merge pull request #29 from MolecularAI/automl

fix to notebook automl code
MolecularAI · Aug 28, 2024 · 649c4d2 · 649c4d2
2 parents e609e20 + 62a8e74
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@@ -163,7 +163,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <span id="optunaz-automl-module"></span><h2>optunaz.automl module<a class="headerlink" href="#module-optunaz.automl" title="Permalink to this heading"></a></h2>
 <dl class="py class">
 <dt class="sig sig-object py" id="optunaz.automl.ModelAutoML">
-<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">optunaz.automl.</span></span><span class="sig-name descname"><span class="pre">ModelAutoML</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">output_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">input_data</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n_cores</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">-</span> <span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">email</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">user_name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">smiles_col</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activity_col</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">task_col</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dry_run</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestr</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'20240828-172746'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="_modules/optunaz/automl.html#ModelAutoML"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#optunaz.automl.ModelAutoML" title="Permalink to this definition"></a></dt>
+<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">optunaz.automl.</span></span><span class="sig-name descname"><span class="pre">ModelAutoML</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">output_path</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">input_data</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n_cores</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">-</span> <span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">email</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">user_name</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">smiles_col</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">activity_col</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">task_col</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">dry_run</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">timestr</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'20240828-174523'</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="_modules/optunaz/automl.html#ModelAutoML"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#optunaz.automl.ModelAutoML" title="Permalink to this definition"></a></dt>
 <dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
 <p>Prepares the data ready for the model training with ModelDispatcher.
 The ModelAutoML will also store activity for new tasks pending enough data.</p>

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