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<title>CNN — DeepPurpose 0.0.1 documentation</title> |
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<div class="section" id="cnn"> |
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<h1>CNN<a class="headerlink" href="#cnn" title="Permalink to this headline">¶</a></h1> |
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<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">CNN</span><span class="p">(</span><span class="n">nn</span><span class="o">.</span><span class="n">Sequential</span><span class="p">)</span> |
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</pre></div> |
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<p><a class="reference external" href="https://en.wikipedia.org/wiki/Convolutional_neural_network">CNN (Convolutional Neural Network)</a> can be used to encode both drug and protein on <a class="reference external" href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system">SMILES</a>.</p> |
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<p><strong>constructor</strong> create CNN.</p> |
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<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">encoding</span><span class="p">,</span> <span class="o">**</span><span class="n">config</span><span class="p">)</span> |
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</pre></div> |
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<ul class="simple"> |
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<li><p><strong>encoding</strong> (string, “drug” or “protein”) - specify input type of model, “drug” or “protein”.</p></li> |
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<li><dl class="simple"> |
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<dt><strong>config</strong> (kwargs, keyword arguments) - specify the parameter of CNN. The keys include</dt><dd><ul> |
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<li><p>cnn_drug_filters (list, each element is int) - specify the size of filter when encoding drug, e.g., cnn_drug_filters = [32,64,96].</p></li> |
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<li><p>cnn_drug_kernels (list, each element is int) - specify the size of kernel when encoding drug, e.g., cnn_drug_kernels = [4,6,8].</p></li> |
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<li><p>hidden_dim_drug (int) - specify the hidden dimension when encoding drug, e.g., hidden_dim_drug = 256.</p></li> |
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<li><p>cnn_target_filters (list, each element is int) - specify the size of filter when encoding protein, e.g, cnn_target_filters = [32,64,96].</p></li> |
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<li><p>cnn_target_kernels (list, each element is int) - specify the size of kernel when encoding protein, e.g, cnn_target_kernels = [4,8,12].</p></li> |
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<li><p>hidden_dim_protein (int) - specify the hidden dimension when encoding protein, e.g., hidden_dim_protein = 256.</p></li> |
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</ul> |
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</dd> |
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</dl> |
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</li> |
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</ul> |
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<p><strong>Calling functions</strong> implement the feedforward procedure of CNN.</p> |
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<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">v</span><span class="p">)</span> |
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</pre></div> |
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<ul class="simple"> |
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<li><p><strong>v</strong> (torch.Tensor) - input feature of CNN.</p></li> |
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