Merge pull request #13 from MolecularAI/docs_images_restored

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MolecularAI · Jul 2, 2024 · 2edc288 · 2edc288
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diff --git a/docs/sphinx-builddir/doctrees/README.doctree b/docs/sphinx-builddir/doctrees/README.doctree
diff --git a/docs/sphinx-builddir/doctrees/environment.pickle b/docs/sphinx-builddir/doctrees/environment.pickle
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_101_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_101_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_110_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_110_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_133_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_133_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_21_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_21_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_23_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_23_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_35_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_35_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_56_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_56_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_67_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_67_0.png
diff --git a/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_71_0.png b/docs/sphinx-builddir/doctrees/nbsphinx/notebooks_QSARtuna_Tutorial_71_0.png
diff --git a/docs/sphinx-builddir/doctrees/notebooks/QSARtuna_Tutorial.doctree b/docs/sphinx-builddir/doctrees/notebooks/QSARtuna_Tutorial.doctree
diff --git a/docs/sphinx-builddir/html/README.html b/docs/sphinx-builddir/html/README.html
@@ -136,6 +136,7 @@ <h2>Background<a class="headerlink" href="#background" title="Permalink to this
 uncertainty estimation and
 explainability python packages</p>
 <p>Further documentation in the GitHub pages <a class="reference external" href="https://molecularai.github.io/QSARtuna/">here</a>.</p>
+<p>QSARtuna Publication available <a class="reference external" href="https://doi.org/10.1021/acs.jcim.4c00457">here</a>.</p>
 <section id="the-three-step-process">
 <h3>The three-step process<a class="headerlink" href="#the-three-step-process" title="Permalink to this heading"></a></h3>
 <p>QSARtuna is structured around three steps:</p>
@@ -357,7 +358,7 @@ <h2>Run from Python/Jupyter Notebook<a class="headerlink" href="#run-from-python
 conda<span class="w"> </span>activate<span class="w"> </span>my_env_with_qsartuna
 module<span class="w"> </span>purge<span class="w">  </span><span class="c1"># Just in case.</span>
 which<span class="w"> </span>python<span class="w">  </span><span class="c1"># Check. Should output path that contains &quot;my_env_with_qsartuna&quot;.</span>
-python<span class="w"> </span>-m<span class="w"> </span>pip<span class="w"> </span>install<span class="w"> </span>https://github.com/MolecularAI/QSARtuna/files/14742594/qsartuna-3.0.0.1.tar.gz
+python<span class="w"> </span>-m<span class="w"> </span>pip<span class="w"> </span>install<span class="w"> </span>https://github.com/MolecularAI/QSARtuna/releases/download/3.1.0/qsartuna-3.1.0.tar.gz
 </pre></div>
 </div>
 <p>Then you can use QSARtuna inside your Notebook:</p>

diff --git a/docs/sphinx-builddir/html/_images/mlflow-inspecting-trials.png b/docs/sphinx-builddir/html/_images/mlflow-inspecting-trials.png
diff --git a/docs/sphinx-builddir/html/_images/mlflow-select-experiment.png b/docs/sphinx-builddir/html/_images/mlflow-select-experiment.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_101_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_101_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_110_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_110_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_133_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_133_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_21_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_21_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_23_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_23_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_35_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_35_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_56_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_56_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_67_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_67_0.png
diff --git a/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_71_0.png b/docs/sphinx-builddir/html/_images/notebooks_QSARtuna_Tutorial_71_0.png
diff --git a/docs/sphinx-builddir/html/_sources/README.md.txt b/docs/sphinx-builddir/html/_sources/README.md.txt
@@ -21,6 +21,8 @@ explainability python packages
 
 Further documentation in the GitHub pages [here](https://molecularai.github.io/QSARtuna/).
 
+QSARtuna Publication available [here](https://doi.org/10.1021/acs.jcim.4c00457).
+
 ### The three-step process
 
 QSARtuna is structured around three steps:
@@ -266,7 +268,7 @@ conda create --name my_env_with_qsartuna python=3.10.10 jupyter pip
 conda activate my_env_with_qsartuna
 module purge  # Just in case.
 which python  # Check. Should output path that contains "my_env_with_qsartuna".
-python -m pip install https://github.com/MolecularAI/QSARtuna/files/14742594/qsartuna-3.0.0.1.tar.gz
+python -m pip install https://github.com/MolecularAI/QSARtuna/releases/download/3.1.0/qsartuna-3.1.0.tar.gz
 ```
 
 Then you can use QSARtuna inside your Notebook:

diff --git a/docs/sphinx-builddir/html/_sources/notebooks/QSARtuna_Tutorial.ipynb.txt b/docs/sphinx-builddir/html/_sources/notebooks/QSARtuna_Tutorial.ipynb.txt
diff --git a/docs/sphinx-builddir/html/searchindex.js b/docs/sphinx-builddir/html/searchindex.js