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<div class="section" id="message-passing-neural-network-mpnn">
<h1>Message Passing Neural Network (MPNN)<a class="headerlink" href="#message-passing-neural-network-mpnn" title="Permalink to this headline">¶</a></h1>
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">class</span> <span class="nc">DeepPurpose</span><span class="o">.</span><span class="n">models</span><span class="o">.</span><span class="n">MPNN</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Sequential</span><span class="p">)</span>
</pre></div>
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<p><a class="reference external" href="https://www.biorxiv.org/content/10.1101/684662v3">Message Passing Neural Network (MPNN)</a> encode drug in its graph representation.</p>
<p><strong>constructor</strong> create MPNN class.</p>
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">mpnn_hidden_size</span><span class="p">,</span> <span class="n">mpnn_depth</span><span class="p">)</span>
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<ul class="simple">
<li><p><strong>mpnn_hidden_size</strong> (int) - specify dimension of hidden layer in MPNN, e.g, mpnn_hidden_size = 256.</p></li>
<li><p><strong>mpnn_depth</strong> (int) - specify depth of MPNN, e.g., mpnn_depth = 3.</p></li>
</ul>
<p><strong>Calling functions</strong> implement the feedforward procedure of MPNN.</p>
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="n">forward</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">feature</span><span class="p">)</span>
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<ul class="simple">
<li><dl class="simple">
<dt><strong>feature</strong> (tuple of length 5)</dt><dd><ul>
<li><p><strong>todo</strong></p></li>
<li></li>
</ul>
</dd>
</dl>
</li>
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