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_modules/torch_molecule/predictor/lstm/modeling_lstm.html

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@@ -293,7 +293,7 @@ <h1>Source code for torch_molecule.predictor.lstm.modeling_lstm</h1><div class="
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<span class="p">}</span>
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<div class="viewcode-block" id="LSTMMolecularPredictor">
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<a class="viewcode-back" href="../../../../api/predictor.html#torch_molecule.predictor.lstm.LSTMMolecularPredictor">[docs]</a>
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<span class="nd">@dataclass</span>
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<span class="k">class</span><span class="w"> </span><span class="nc">LSTMMolecularPredictor</span><span class="p">(</span><span class="n">BaseMolecularPredictor</span><span class="p">):</span>
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<span class="w"> </span><span class="sd">&quot;&quot;&quot;This predictor implements a LSTM model for molecular property prediction tasks.</span>
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<span class="k">return</span> <span class="n">DEFAULT_LSTM_SEARCH_SPACES</span>
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<div class="viewcode-block" id="LSTMMolecularPredictor.autofit">
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<span class="k">def</span><span class="w"> </span><span class="nf">autofit</span><span class="p">(</span>
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<span class="bp">self</span><span class="p">,</span>
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<span class="n">X_train</span><span class="p">:</span> <span class="n">List</span><span class="p">[</span><span class="nb">str</span><span class="p">],</span>
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<div class="viewcode-block" id="LSTMMolecularPredictor.fit">
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<a class="viewcode-back" href="../../../../api/predictor.html#torch_molecule.predictor.lstm.modeling_lstm.LSTMMolecularPredictor.fit">[docs]</a>
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<span class="k">def</span><span class="w"> </span><span class="nf">fit</span><span class="p">(</span>
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<span class="n">X_train</span><span class="p">:</span> <span class="n">List</span><span class="p">[</span><span class="nb">str</span><span class="p">],</span>
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<div class="viewcode-block" id="LSTMMolecularPredictor.predict">
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<span class="k">def</span><span class="w"> </span><span class="nf">predict</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">:</span> <span class="n">List</span><span class="p">[</span><span class="nb">str</span><span class="p">])</span> <span class="o">-&gt;</span> <span class="n">Dict</span><span class="p">[</span><span class="nb">str</span><span class="p">,</span> <span class="n">np</span><span class="o">.</span><span class="n">ndarray</span><span class="p">]:</span>
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<span class="w"> </span><span class="sd">&quot;&quot;&quot;Make predictions using the fitted model.</span>
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_sources/api/predictor.rst.txt

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-----------------------------------------
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.. rubric:: LSTM models based on SMILES
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.. automodule:: torch_molecule.predictor.lstm
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:members:
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.. autoclass:: torch_molecule.predictor.lstm.modeling_lstm.LSTMMolecularPredictor
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:members: fit, autofit, predict
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api/predictor.html

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genindex.html

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objects.inv

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overview.html

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</li>
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<li class="toctree-l2"><a class="reference internal" href="api/predictor.html#modeling-molecules-as-sequences-with-rnns">Modeling Molecules as Sequences with RNNs</a><ul>
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<li class="toctree-l3"><a class="reference internal" href="api/predictor.html#torch_molecule.predictor.lstm.LSTMMolecularPredictor"><code class="docutils literal notranslate"><span class="pre">LSTMMolecularPredictor</span></code></a></li>
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<li class="toctree-l3"><a class="reference internal" href="api/predictor.html#torch_molecule.predictor.lstm.modeling_lstm.LSTMMolecularPredictor"><code class="docutils literal notranslate"><span class="pre">LSTMMolecularPredictor</span></code></a></li>
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py-modindex.html

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<a href="api/nn.html#module-torch_molecule.nn.mlp"><code class="xref">torch_molecule.nn.mlp</code></a></td><td>
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</tr>
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<td>&#160;&#160;&#160;
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searchindex.js

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