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Update to v0.5.3
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10 changes: 10 additions & 0 deletions docs/_sources/changelog.rst.txt
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matminer Changelog
==================

**v0.5.3**

* fix typo bug that got introduced in 0.5.2 pypi release

**v0.5.2**

* better flattening for ColoumbMatrix featurizers, making them more usable (A. Dunn)
* SOAP featurizer using the dscribe package (A. Dunn)
* DosAsymmetry featurizer (M. Dylla)

**v0.5.1**

* AFLOW data retrieval (M. Dylla)
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4 changes: 3 additions & 1 deletion docs/_sources/featurizer_summary.rst.txt
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:code:`DOSFeaturizer` Significant character and contribution of the density of state from a `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.dos.DOSFeaturizer>`_
:code:`DopingFermi` The fermi level (w.r.t. selected reference energy) associated with a `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.dos.DopingFermi>`_
:code:`Hybridization` quantify s/p/d/f orbital character and their hybridizations at band edges `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.dos.Hybridization>`_
:code:`DosAsymmetry` `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.dos.DosAsymmetry>`_
===================== ================================================================================================================================================================================================================================================================================================================================================================================================================


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:code:`RadialDistributionFunction` Calculate the radial distribution function (RDF) of a crystal structure. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.RadialDistributionFunction>`_
:code:`PartialRadialDistributionFunction` Compute the partial radial distribution function (PRDF) of an xtal structure `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.PartialRadialDistributionFunction>`_
:code:`ElectronicRadialDistributionFunction` Calculate the inherent electronic radial distribution function (ReDF) `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.ElectronicRadialDistributionFunction>`_
:code:`CoulombMatrix` Generate the Coulomb matrix, a representation of nuclear coulombic interaction. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.CoulombMatrix>`_
:code:`CoulombMatrix` The Coulomb matrix, a representation of nuclear coulombic interaction. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.CoulombMatrix>`_
:code:`SineCoulombMatrix` A variant of the Coulomb matrix developed for periodic crystals. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.SineCoulombMatrix>`_
:code:`OrbitalFieldMatrix` Representation based on the valence shell electrons of neighboring atoms. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.OrbitalFieldMatrix>`_
:code:`MinimumRelativeDistances` Determines the relative distance of each site to its closest neighbor. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.MinimumRelativeDistances>`_
Expand All @@ -174,6 +175,7 @@ Name Description
:code:`XRDPowderPattern` 1D array representing powder diffraction of a structure as calculated by `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.XRDPowderPattern>`_
:code:`CGCNNFeaturizer` Features generated by training a Crystal Graph Convolutional Neural Network `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.CGCNNFeaturizer>`_
:code:`JarvisCFID` Classical Force-Field Inspired Descriptors (CFID) from Jarvis-ML. `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.JarvisCFID>`_
:code:`SOAP` Smooth overlap of atomic positions (interface via dscribe). `[more] <https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.SOAP>`_
============================================ ================================================================================================================================================================================================================================================================================================================================================================================================================


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var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '0.5.1',
VERSION: '0.5.3',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
FILE_SUFFIX: '.html',
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16 changes: 13 additions & 3 deletions docs/changelog.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>MatMiner Changelog &#8212; matminer 0.5.1 documentation</title>
<title>MatMiner Changelog &#8212; matminer 0.5.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
Expand All @@ -28,7 +28,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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<div class="section" id="matminer-changelog">
<h1>matminer Changelog<a class="headerlink" href="#matminer-changelog" title="Permalink to this headline"></a></h1>
<p><strong>v0.5.3</strong></p>
<ul class="simple">
<li>fix typo bug that got introduced in 0.5.2 pypi release</li>
</ul>
<p><strong>v0.5.2</strong></p>
<ul class="simple">
<li>better flattening for ColoumbMatrix featurizers, making them more usable (A. Dunn)</li>
<li>SOAP featurizer using the dscribe package (A. Dunn)</li>
<li>DosAsymmetry featurizer (M. Dylla)</li>
</ul>
<p><strong>v0.5.1</strong></p>
<ul class="simple">
<li>AFLOW data retrieval (M. Dylla)</li>
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<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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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6 changes: 3 additions & 3 deletions docs/contributors.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>MatMiner Contributors &#8212; matminer 0.5.1 documentation</title>
<title>MatMiner Contributors &#8212; matminer 0.5.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
Expand All @@ -28,7 +28,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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<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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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6 changes: 3 additions & 3 deletions docs/dataset_addition_guide.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>Guide to adding datasets to matminer &#8212; matminer 0.5.1 documentation</title>
<title>Guide to adding datasets to matminer &#8212; matminer 0.5.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
Expand All @@ -28,7 +28,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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<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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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6 changes: 3 additions & 3 deletions docs/dataset_summary.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>Datasets Available in Matminer &#8212; matminer 0.5.1 documentation</title>
<title>Datasets Available in Matminer &#8212; matminer 0.5.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
Expand All @@ -28,7 +28,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

Expand Down Expand Up @@ -1907,7 +1907,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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6 changes: 3 additions & 3 deletions docs/example_bulkmod.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>Predicting bulk moduli with matminer &#8212; matminer 0.5.1 documentation</title>
<title>Predicting bulk moduli with matminer &#8212; matminer 0.5.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
Expand All @@ -28,7 +28,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

Expand Down Expand Up @@ -361,7 +361,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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14 changes: 10 additions & 4 deletions docs/featurizer_summary.html
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<head>
<meta http-equiv="X-UA-Compatible" content="IE=Edge" />
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
<title>Table of Featurizers &#8212; matminer 0.5.1 documentation</title>
<title>Table of Featurizers &#8212; matminer 0.5.3 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" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
Expand All @@ -28,7 +28,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

Expand Down Expand Up @@ -188,6 +188,9 @@ <h3>Features based on a material’s electronic density of states.<a class="head
<tr class="row-odd"><td><code class="code docutils literal notranslate"><span class="pre">Hybridization</span></code></td>
<td>quantify s/p/d/f orbital character and their hybridizations at band edges <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.dos.Hybridization">[more]</a></td>
</tr>
<tr class="row-even"><td><code class="code docutils literal notranslate"><span class="pre">DosAsymmetry</span></code></td>
<td><a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.dos.DosAsymmetry">[more]</a></td>
</tr>
</tbody>
</table>
</div>
Expand Down Expand Up @@ -318,7 +321,7 @@ <h3>Generating features based on a material’s crystal structure.<a class="head
<td>Calculate the inherent electronic radial distribution function (ReDF) <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.ElectronicRadialDistributionFunction">[more]</a></td>
</tr>
<tr class="row-even"><td><code class="code docutils literal notranslate"><span class="pre">CoulombMatrix</span></code></td>
<td>Generate the Coulomb matrix, a representation of nuclear coulombic interaction. <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.CoulombMatrix">[more]</a></td>
<td>The Coulomb matrix, a representation of nuclear coulombic interaction. <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.CoulombMatrix">[more]</a></td>
</tr>
<tr class="row-odd"><td><code class="code docutils literal notranslate"><span class="pre">SineCoulombMatrix</span></code></td>
<td>A variant of the Coulomb matrix developed for periodic crystals. <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.SineCoulombMatrix">[more]</a></td>
Expand Down Expand Up @@ -362,6 +365,9 @@ <h3>Generating features based on a material’s crystal structure.<a class="head
<tr class="row-even"><td><code class="code docutils literal notranslate"><span class="pre">JarvisCFID</span></code></td>
<td>Classical Force-Field Inspired Descriptors (CFID) from Jarvis-ML. <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.JarvisCFID">[more]</a></td>
</tr>
<tr class="row-odd"><td><code class="code docutils literal notranslate"><span class="pre">SOAP</span></code></td>
<td>Smooth overlap of atomic positions (interface via dscribe). <a class="reference external" href="https://hackingmaterials.github.io/matminer/matminer.featurizers.html#matminer.featurizers.structure.SOAP">[more]</a></td>
</tr>
</tbody>
</table>
</div>
Expand Down Expand Up @@ -441,7 +447,7 @@ <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 0.5.1 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.5.3 documentation</a> &#187;</li>
</ul>
</div>

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