docs: update documentation.

GT4SD · Sep 6, 2024 · 004ad38 · 004ad38
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diff --git a/_modules/gt4sd/frameworks/gflownet/ml/models/mxmnet.html b/_modules/gt4sd/frameworks/gflownet/ml/models/mxmnet.html
@@ -1136,7 +1136,7 @@ <h1>Source code for gt4sd.frameworks.gflownet.ml.models.mxmnet</h1><div class="h
 
  <span class="k">return</span> <span class="n">h</span></div>
 
-<div class="viewcode-block" id="Global_MP.message"><a class="viewcode-back" href="../../../../../../api/gt4sd.frameworks.gflownet.ml.models.mxmnet.html#gt4sd.frameworks.gflownet.ml.models.mxmnet.Global_MP.message">[docs]</a> <span class="k">def</span> <span class="nf">message</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x_i</span><span class="p">,</span> <span class="n">x_j</span><span class="p">,</span> <span class="n">edge_attr</span><span class="p">,</span> <span class="n">edge_index</span><span class="p">,</span> <span class="n">num_nodes</span><span class="p">):</span>
+<div class="viewcode-block" id="Global_MP.message"><a class="viewcode-back" href="../../../../../../api/gt4sd.frameworks.gflownet.ml.models.mxmnet.html#gt4sd.frameworks.gflownet.ml.models.mxmnet.Global_MP.message">[docs]</a> <span class="k">def</span> <span class="nf">message</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">x_i</span><span class="p">,</span> <span class="n">x_j</span><span class="p">,</span> <span class="n">edge_attr</span><span class="p">,</span> <span class="n">edge_index</span><span class="p">,</span> <span class="n">num_nodes</span><span class="p">):</span> <span class="c1"># type:ignore</span>
  <span class="n">num_edge</span> <span class="o">=</span> <span class="n">edge_attr</span><span class="o">.</span><span class="n">size</span><span class="p">()[</span><span class="mi">0</span><span class="p">]</span>
 
  <span class="n">x_edge</span> <span class="o">=</span> <span class="n">torch</span><span class="o">.</span><span class="n">cat</span><span class="p">((</span><span class="n">x_i</span><span class="p">[:</span><span class="n">num_edge</span><span class="p">],</span> <span class="n">x_j</span><span class="p">[:</span><span class="n">num_edge</span><span class="p">],</span> <span class="n">edge_attr</span><span class="p">),</span> <span class="o">-</span><span class="mi">1</span><span class="p">)</span>

diff --git a/_modules/index.html b/_modules/index.html
@@ -234,8 +234,6 @@ <h1>All modules for which code is available</h1>
 <li><a href="gt4sd/frameworks/cgcnn/model.html">gt4sd.frameworks.cgcnn.model</a></li>
 <li><a href="gt4sd/frameworks/crystals_rfc/feature_engine.html">gt4sd.frameworks.crystals_rfc.feature_engine</a></li>
 <li><a href="gt4sd/frameworks/crystals_rfc/rf_classifier.html">gt4sd.frameworks.crystals_rfc.rf_classifier</a></li>
-<li><a href="gt4sd/frameworks/enzeptional/core.html">gt4sd.frameworks.enzeptional.core</a></li>
-<li><a href="gt4sd/frameworks/enzeptional/processing.html">gt4sd.frameworks.enzeptional.processing</a></li>
 <li><a href="gt4sd/frameworks/gflownet/arg_parser/parser.html">gt4sd.frameworks.gflownet.arg_parser.parser</a></li>
 <li><a href="gt4sd/frameworks/gflownet/arg_parser/utils.html">gt4sd.frameworks.gflownet.arg_parser.utils</a></li>
 <li><a href="gt4sd/frameworks/gflownet/dataloader/data_module.html">gt4sd.frameworks.gflownet.dataloader.data_module</a></li>

diff --git a/_sources/api/gt4sd.frameworks.enzeptional.rst.txt b/_sources/api/gt4sd.frameworks.enzeptional.rst.txt
@@ -8,13 +8,6 @@ gt4sd.frameworks.enzeptional package
 
 
 
- Submodules:
-
- .. toctree::
- :maxdepth: 1
-
- gt4sd.frameworks.enzeptional.core
- gt4sd.frameworks.enzeptional.processing
 
  Subpackages:
 

diff --git a/api/gt4sd.algorithms.conditional_generation.guacamol.core.html b/api/gt4sd.algorithms.conditional_generation.guacamol.core.html
diff --git a/api/gt4sd.algorithms.conditional_generation.key_bert.core.html b/api/gt4sd.algorithms.conditional_generation.key_bert.core.html
diff --git a/api/gt4sd.algorithms.conditional_generation.molgx.core.html b/api/gt4sd.algorithms.conditional_generation.molgx.core.html
diff --git a/api/gt4sd.algorithms.conditional_generation.paccmann_rl.core.html b/api/gt4sd.algorithms.conditional_generation.paccmann_rl.core.html
diff --git a/api/gt4sd.algorithms.conditional_generation.regression_transformer.core.html b/api/gt4sd.algorithms.conditional_generation.regression_transformer.core.html
diff --git a/api/gt4sd.algorithms.conditional_generation.reinvent.core.html b/api/gt4sd.algorithms.conditional_generation.reinvent.core.html
diff --git a/api/gt4sd.algorithms.conditional_generation.template.core.html b/api/gt4sd.algorithms.conditional_generation.template.core.html
diff --git a/api/gt4sd.algorithms.controlled_sampling.advanced_manufacturing.core.html b/api/gt4sd.algorithms.controlled_sampling.advanced_manufacturing.core.html
diff --git a/api/gt4sd.algorithms.controlled_sampling.paccmann_gp.core.html b/api/gt4sd.algorithms.controlled_sampling.paccmann_gp.core.html
diff --git a/api/gt4sd.algorithms.generation.diffusion.core.html b/api/gt4sd.algorithms.generation.diffusion.core.html
diff --git a/api/gt4sd.algorithms.generation.hugging_face.core.html b/api/gt4sd.algorithms.generation.hugging_face.core.html
diff --git a/api/gt4sd.algorithms.generation.moler.core.html b/api/gt4sd.algorithms.generation.moler.core.html
diff --git a/api/gt4sd.algorithms.generation.paccmann_vae.core.html b/api/gt4sd.algorithms.generation.paccmann_vae.core.html
diff --git a/api/gt4sd.algorithms.generation.pgt.core.html b/api/gt4sd.algorithms.generation.pgt.core.html
diff --git a/api/gt4sd.algorithms.generation.polymer_blocks.core.html b/api/gt4sd.algorithms.generation.polymer_blocks.core.html
diff --git a/api/gt4sd.algorithms.generation.torchdrug.core.html b/api/gt4sd.algorithms.generation.torchdrug.core.html
diff --git a/api/gt4sd.algorithms.prediction.paccmann.core.html b/api/gt4sd.algorithms.prediction.paccmann.core.html
diff --git a/api/gt4sd.algorithms.prediction.topics_zero_shot.core.html b/api/gt4sd.algorithms.prediction.topics_zero_shot.core.html
diff --git a/api/gt4sd.configuration.html b/api/gt4sd.configuration.html
diff --git a/api/gt4sd.frameworks.enzeptional.html b/api/gt4sd.frameworks.enzeptional.html
@@ -44,7 +44,7 @@
 
  <link rel="index" title="Index" href="../genindex.html" />
  <link rel="search" title="Search" href="../search.html" />
- <link rel="next" title="gt4sd.frameworks.enzeptional.core module" href="gt4sd.frameworks.enzeptional.core.html" />
+ <link rel="next" title="gt4sd.frameworks.enzeptional.tests package" href="gt4sd.frameworks.enzeptional.tests.html" />
  <link rel="prev" title="gt4sd.frameworks.crystals_rfc.rf_classifier module" href="gt4sd.frameworks.crystals_rfc.rf_classifier.html" /> 
 </head>
 
@@ -113,8 +113,6 @@
 <li class="toctree-l3"><a class="reference internal" href="gt4sd.frameworks.cgcnn.html">gt4sd.frameworks.cgcnn package</a></li>
 <li class="toctree-l3"><a class="reference internal" href="gt4sd.frameworks.crystals_rfc.html">gt4sd.frameworks.crystals_rfc package</a></li>
 <li class="toctree-l3 current"><a class="current reference internal" href="#">gt4sd.frameworks.enzeptional package</a><ul>
-<li class="toctree-l4"><a class="reference internal" href="gt4sd.frameworks.enzeptional.core.html">gt4sd.frameworks.enzeptional.core module</a></li>
-<li class="toctree-l4"><a class="reference internal" href="gt4sd.frameworks.enzeptional.processing.html">gt4sd.frameworks.enzeptional.processing module</a></li>
 <li class="toctree-l4"><a class="reference internal" href="gt4sd.frameworks.enzeptional.tests.html">gt4sd.frameworks.enzeptional.tests package</a></li>
 </ul>
 </li>
@@ -203,13 +201,6 @@
 <span id="gt4sd-frameworks-enzeptional-package"></span><h1>gt4sd.frameworks.enzeptional package<a class="headerlink" href="#module-gt4sd.frameworks.enzeptional" title="Permalink to this heading">¶</a></h1>
 <p>enzeptional - ENZymE OPTImizatiON for biocatALysis.</p>
 <p>Module for enzyme optimization.</p>
-<p>Submodules:</p>
-<div class="toctree-wrapper compound">
-<ul>
-<li class="toctree-l1"><a class="reference internal" href="gt4sd.frameworks.enzeptional.core.html">gt4sd.frameworks.enzeptional.core module</a></li>
-<li class="toctree-l1"><a class="reference internal" href="gt4sd.frameworks.enzeptional.processing.html">gt4sd.frameworks.enzeptional.processing module</a></li>
-</ul>
-</div>
 <p>Subpackages:</p>
 <div class="toctree-wrapper compound">
 <ul>
@@ -224,7 +215,7 @@
  </div>
  <footer>
  <div class="rst-footer-buttons" role="navigation" aria-label="footer navigation">
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+ <a href="gt4sd.frameworks.enzeptional.tests.html" class="btn btn-neutral float-right" title="gt4sd.frameworks.enzeptional.tests package" accesskey="n" rel="next">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
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diff --git a/api/gt4sd.frameworks.enzeptional.tests.html b/api/gt4sd.frameworks.enzeptional.tests.html
@@ -45,7 +45,7 @@
  <link rel="index" title="Index" href="../genindex.html" />
  <link rel="search" title="Search" href="../search.html" />
  <link rel="next" title="gt4sd.frameworks.gflownet package" href="gt4sd.frameworks.gflownet.html" />
- <link rel="prev" title="gt4sd.frameworks.enzeptional.processing module" href="gt4sd.frameworks.enzeptional.processing.html" /> 
+ <link rel="prev" title="gt4sd.frameworks.enzeptional package" href="gt4sd.frameworks.enzeptional.html" /> 
 </head>
 
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@@ -113,8 +113,6 @@
 <li class="toctree-l3"><a class="reference internal" href="gt4sd.frameworks.cgcnn.html">gt4sd.frameworks.cgcnn package</a></li>
 <li class="toctree-l3"><a class="reference internal" href="gt4sd.frameworks.crystals_rfc.html">gt4sd.frameworks.crystals_rfc package</a></li>
 <li class="toctree-l3 current"><a class="reference internal" href="gt4sd.frameworks.enzeptional.html">gt4sd.frameworks.enzeptional package</a><ul class="current">
-<li class="toctree-l4"><a class="reference internal" href="gt4sd.frameworks.enzeptional.core.html">gt4sd.frameworks.enzeptional.core module</a></li>
-<li class="toctree-l4"><a class="reference internal" href="gt4sd.frameworks.enzeptional.processing.html">gt4sd.frameworks.enzeptional.processing module</a></li>
 <li class="toctree-l4 current"><a class="current reference internal" href="#">gt4sd.frameworks.enzeptional.tests package</a></li>
 </ul>
 </li>
@@ -212,7 +210,7 @@
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+ <a href="gt4sd.frameworks.enzeptional.html" class="btn btn-neutral float-left" title="gt4sd.frameworks.enzeptional package" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
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