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Update to v0.1.5
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computron committed Nov 10, 2017
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13 changes: 13 additions & 0 deletions docs/_sources/changelog.rst.txt
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matminer Changelog
==================

**v0.1.5**

* new Site and Structure fingerprints based on order parameters (N. Zimmermann)
* DOSFeaturizer (M. Dylla)
* Structure fingerprint can do cations/anions only (A. Jain)
* include the degeneracy of the CBM/VBM in BandFeaturizer (A. Faghaninia)
* fixes / updates to CitrineDataRetrieval (S. Bajaj)
* more property stats (L. Ward)
* fixes to AGNIFingerprint (L. Ward)
* FigRecipes cleanup (A. Dunn)
* updated examples, docs (A. Dunn)
* various bugfixes, code cleanup (A. Jain)

**v0.1.4**

* add a band structure featurizer (A. Faghaninia)
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3 changes: 2 additions & 1 deletion docs/_sources/contributors.rst.txt
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Other
-----
* Kyle Bystrom (Asta Research Group)
* Kyle Bystrom (Asta Research Group, UC Berkeley)
* Shyue Ping Ong (UC San Diego)
* Evgeny Blokhin (Tilde Lab)
* Max Dylla (Snyder Research Group, Northwestern University)
6 changes: 1 addition & 5 deletions docs/_static/basic.css
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23 changes: 18 additions & 5 deletions docs/changelog.html
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<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>MatMiner Changlog &#8212; matminer 0.1.4 documentation</title>
<title>MatMiner Changlog &#8212; matminer 0.1.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
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Expand All @@ -34,7 +34,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.5 documentation</a> &#187;</li>
</ul>
</div>

Expand All @@ -45,6 +45,19 @@ <h3>Navigation</h3>

<div class="section" id="matminer-changelog">
<h1>matminer Changelog<a class="headerlink" href="#matminer-changelog" title="Permalink to this headline"></a></h1>
<p><strong>v0.1.5</strong></p>
<ul class="simple">
<li>new Site and Structure fingerprints based on order parameters (N. Zimmermann)</li>
<li>DOSFeaturizer (M. Dylla)</li>
<li>Structure fingerprint can do cations/anions only (A. Jain)</li>
<li>include the degeneracy of the CBM/VBM in BandFeaturizer (A. Faghaninia)</li>
<li>fixes / updates to CitrineDataRetrieval (S. Bajaj)</li>
<li>more property stats (L. Ward)</li>
<li>fixes to AGNIFingerprint (L. Ward)</li>
<li>FigRecipes cleanup (A. Dunn)</li>
<li>updated examples, docs (A. Dunn)</li>
<li>various bugfixes, code cleanup (A. Jain)</li>
</ul>
<p><strong>v0.1.4</strong></p>
<ul class="simple">
<li>add a band structure featurizer (A. Faghaninia)</li>
Expand Down Expand Up @@ -130,12 +143,12 @@ <h3>Navigation</h3>
<li class="right" >
<a href="py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.5 documentation</a> &#187;</li>
</ul>
</div>
<div class="footer" role="contentinfo">
&#169; Copyright 2015, Anubhav Jain.
Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.6.5.
Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.6.3.
</div>
</body>
</html>
13 changes: 7 additions & 6 deletions docs/contributors.html
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<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>MatMiner Contributors &#8212; matminer 0.1.4 documentation</title>
<title>MatMiner Contributors &#8212; matminer 0.1.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script type="text/javascript">
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VERSION: '0.1.5',
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FILE_SUFFIX: '.html',
HAS_SOURCE: true,
Expand All @@ -34,7 +34,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.5 documentation</a> &#187;</li>
</ul>
</div>

Expand Down Expand Up @@ -78,9 +78,10 @@ <h2><a class="reference external" href="http://perssongroup.lbl.gov/">LBNL - Per
<div class="section" id="other">
<h2>Other<a class="headerlink" href="#other" title="Permalink to this headline"></a></h2>
<ul class="simple">
<li>Kyle Bystrom (Asta Research Group)</li>
<li>Kyle Bystrom (Asta Research Group, UC Berkeley)</li>
<li>Shyue Ping Ong (UC San Diego)</li>
<li>Evgeny Blokhin (Tilde Lab)</li>
<li>Max Dylla (Snyder Research Group, Northwestern University)</li>
</ul>
</div>
</div>
Expand Down Expand Up @@ -132,12 +133,12 @@ <h3>Navigation</h3>
<li class="right" >
<a href="py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.5 documentation</a> &#187;</li>
</ul>
</div>
<div class="footer" role="contentinfo">
&#169; Copyright 2015, Anubhav Jain.
Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.6.5.
Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.6.3.
</div>
</body>
</html>
14 changes: 7 additions & 7 deletions docs/example_bulkmod.html
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<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>Predicting bulk moduli with matminer &#8212; matminer 0.1.4 documentation</title>
<title>Predicting bulk moduli with matminer &#8212; matminer 0.1.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script type="text/javascript">
var DOCUMENTATION_OPTIONS = {
URL_ROOT: './',
VERSION: '0.1.4',
VERSION: '0.1.5',
COLLAPSE_INDEX: false,
FILE_SUFFIX: '.html',
HAS_SOURCE: true,
Expand All @@ -34,7 +34,7 @@ <h3>Navigation</h3>
<li class="right" >
<a href="py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.5 documentation</a> &#187;</li>
</ul>
</div>

Expand Down Expand Up @@ -223,7 +223,7 @@ <h3>Step 4: Plot the results with FigRecipes<a class="headerlink" href="#step-4-
<span class="n">add_xy_plot</span><span class="o">=</span><span class="p">[</span><span class="n">xy_params</span><span class="p">])</span>
</pre></div>
</div>
<a class="reference internal image-reference" href="_images/example_bulkmod.png"><img alt="_images/example_bulkmod.png" src="_images/example_bulkmod.png" style="width: 630.0px; height: 497.0px;" /></a>
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<p>Great! We just fit a linear regression model to pymatgen features using matminer and sklearn. Now let’s use a Random
Forest model to examine the importance of our features.</p>
</div>
Expand Down Expand Up @@ -289,7 +289,7 @@ <h3>Step 6: Plot our results and determine what features are the most important<
<span class="n">add_xy_plot</span><span class="o">=</span><span class="p">[</span><span class="n">xy_line</span><span class="p">])</span>
</pre></div>
</div>
<a class="reference internal image-reference" href="_images/example_bulkmod_rf.png"><img alt="_images/example_bulkmod_rf.png" src="_images/example_bulkmod_rf.png" style="width: 646.4px; height: 517.6px;" /></a>
<a class="reference internal image-reference" href="_images/example_bulkmod_rf.png"><img alt="_images/example_bulkmod_rf.png" src="_images/example_bulkmod_rf.png" style="width: 646.4000000000001px; height: 517.6px;" /></a>
<p><strong>Step 6b: Plot the importance of the features we used</strong></p>
<div class="highlight-python"><div class="highlight"><pre><span></span><span class="n">importances</span> <span class="o">=</span> <span class="n">rf</span><span class="o">.</span><span class="n">feature_importances_</span>
<span class="n">X_cols</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">asarray</span><span class="p">(</span><span class="n">X_cols</span><span class="p">)</span>
Expand Down Expand Up @@ -365,12 +365,12 @@ <h3>Navigation</h3>
<li class="right" >
<a href="py-modindex.html" title="Python Module Index"
>modules</a> |</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.1.5 documentation</a> &#187;</li>
</ul>
</div>
<div class="footer" role="contentinfo">
&#169; Copyright 2015, Anubhav Jain.
Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.6.5.
Created using <a href="http://sphinx-doc.org/">Sphinx</a> 1.6.3.
</div>
</body>
</html>

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