Skip to content

Commit

Permalink
Update to v0.7.5
Browse files Browse the repository at this point in the history
  • Loading branch information
computron committed Jan 14, 2022
1 parent db19424 commit 4f19265
Show file tree
Hide file tree
Showing 41 changed files with 315 additions and 150 deletions.
44 changes: 43 additions & 1 deletion docs/_sources/dataset_summary.rst.txt
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
=================
Table of Datasets
=================
Find a table of all 42 datasets available in matminer here.
Find a table of all 43 datasets available in matminer here.

.. list-table::
:align: left
Expand Down Expand Up @@ -134,6 +134,9 @@ Find a table of all 42 datasets available in matminer here.
* - :code:`steel_strength`
- 312 steels with experimental yield strength and ultimate tensile strength, extracted and cleaned (including de-duplicating) from Citrine.
- 312
* - :code:`superconductivity2018`
- Dataset of ~16,000 experimental superconductivity records (critical temperatures) from Stanev et al., originally from the Japanese National Institute for Materials Science
- 16414
* - :code:`wolverton_oxides`
- 4,914 perovskite oxides containing composition data, lattice constants, and formation + vacancy formation energies
- 4914
Expand Down Expand Up @@ -2282,6 +2285,45 @@ https://citrination.com/datasets/153092/
---------------------
superconductivity2018
---------------------
Dataset of ~16,000 experimental superconductivity records (critical temperatures) from Stanev et al., originally from the Japanese National Institute for Materials Science. Does not include structural data. Includes ~300 measurements from materials found without superconductivity (Tc=0). No modifications were made to the core dataset, aside from basic file type change to json for (un)packaging with matminer. Reproduced under the Creative Commons 4.0 license, which can be found here: http://creativecommons.org/licenses/by/4.0/.

**Number of entries:** 16414

.. list-table::
:align: left
:widths: 20 80
:header-rows: 1

* - Column
- Description
* - :code:`composition`
- Chemical formula.
* - :code:`Tc`
- Experimental superconducting temperature, in K.



**Reference**

https://doi.org/10.1038/s41524-018-0085-8



**Bibtex Formatted Citations**

.. code-block:: text
@article{Stanev2018, doi = {10.1038/s41524-018-0085-8}, url = {https://doi.org/10.1038/s41524-018-0085-8}, year = {2018}, month = jun, publisher = {Springer Science and Business Media {LLC}}, volume = {4}, number = {1}, author = {Valentin Stanev and Corey Oses and A. Gilad Kusne and Efrain Rodriguez and Johnpierre Paglione and Stefano Curtarolo and Ichiro Takeuchi}, title = {Machine learning modeling of superconducting critical temperature}, journal = {npj Computational Materials} }
@misc{NIMSSuperCon, howpublished={http://supercon.nims.go.jp/index_en.html}, title={SuperCon}, author={National Institute of Materials Science, Materials Information Station}}
----------------
wolverton_oxides
----------------
Expand Down
2 changes: 1 addition & 1 deletion docs/_sources/featurizer_summary.rst.txt
Original file line number Diff line number Diff line change
Expand Up @@ -477,7 +477,7 @@ _________
:code:`matminer.featurizers.structure.composite`


Structure featurizers producing more than one kind of structue feature data.
Structure featurizers producing more than one kind of structure feature data.

.. list-table::
:align: left
Expand Down
2 changes: 1 addition & 1 deletion docs/_static/documentation_options.js
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
var DOCUMENTATION_OPTIONS = {
URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
VERSION: '0.7.4',
VERSION: '0.7.5',
LANGUAGE: 'None',
COLLAPSE_INDEX: false,
BUILDER: 'html',
Expand Down
6 changes: 3 additions & 3 deletions docs/changelog.html
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>MatMiner Changelog &#8212; matminer 0.7.4 documentation</title>
<title>MatMiner Changelog &#8212; matminer 0.7.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script 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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">MatMiner Changelog</a></li>
</ul>
</div>
Expand Down Expand Up @@ -500,7 +500,7 @@ <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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">MatMiner Changelog</a></li>
</ul>
</div>
Expand Down
6 changes: 3 additions & 3 deletions docs/contributors.html
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>MatMiner Contributors &#8212; matminer 0.7.4 documentation</title>
<title>MatMiner Contributors &#8212; matminer 0.7.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script 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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">MatMiner Contributors</a></li>
</ul>
</div>
Expand Down Expand Up @@ -151,7 +151,7 @@ <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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">MatMiner Contributors</a></li>
</ul>
</div>
Expand Down
6 changes: 3 additions & 3 deletions docs/dataset_addition_guide.html
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Guide to adding datasets to matminer &#8212; matminer 0.7.4 documentation</title>
<title>Guide to adding datasets to matminer &#8212; matminer 0.7.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script 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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Guide to adding datasets to matminer</a></li>
</ul>
</div>
Expand Down Expand Up @@ -331,7 +331,7 @@ <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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Guide to adding datasets to matminer</a></li>
</ul>
</div>
Expand Down
47 changes: 42 additions & 5 deletions docs/dataset_summary.html
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Table of Datasets &#8212; matminer 0.7.4 documentation</title>
<title>Table of Datasets &#8212; matminer 0.7.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script 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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Table of Datasets</a></li>
</ul>
</div>
Expand All @@ -40,7 +40,7 @@ <h3>Navigation</h3>

<div class="section" id="table-of-datasets">
<h1>Table of Datasets<a class="headerlink" href="#table-of-datasets" title="Permalink to this headline"></a></h1>
<p>Find a table of all 42 datasets available in matminer here.</p>
<p>Find a table of all 43 datasets available in matminer here.</p>
<table class="colwidths-given docutils align-left">
<colgroup>
<col style="width: 20%" />
Expand Down Expand Up @@ -218,7 +218,11 @@ <h1>Table of Datasets<a class="headerlink" href="#table-of-datasets" title="Perm
<td><p>312 steels with experimental yield strength and ultimate tensile strength, extracted and cleaned (including de-duplicating) from Citrine.</p></td>
<td><p>312</p></td>
</tr>
<tr class="row-odd"><td><p><code class="code docutils literal notranslate"><span class="pre">wolverton_oxides</span></code></p></td>
<tr class="row-odd"><td><p><code class="code docutils literal notranslate"><span class="pre">superconductivity2018</span></code></p></td>
<td><p>Dataset of ~16,000 experimental superconductivity records (critical temperatures) from Stanev et al., originally from the Japanese National Institute for Materials Science</p></td>
<td><p>16414</p></td>
</tr>
<tr class="row-even"><td><p><code class="code docutils literal notranslate"><span class="pre">wolverton_oxides</span></code></p></td>
<td><p>4,914 perovskite oxides containing composition data, lattice constants, and formation + vacancy formation energies</p></td>
<td><p>4914</p></td>
</tr>
Expand Down Expand Up @@ -2325,6 +2329,38 @@ <h2>steel_strength<a class="headerlink" href="#steel-strength" title="Permalink
</pre></div>
</div>
</div>
<div class="section" id="superconductivity2018">
<h2>superconductivity2018<a class="headerlink" href="#superconductivity2018" title="Permalink to this headline"></a></h2>
<p>Dataset of ~16,000 experimental superconductivity records (critical temperatures) from Stanev et al., originally from the Japanese National Institute for Materials Science. Does not include structural data. Includes ~300 measurements from materials found without superconductivity (Tc=0). No modifications were made to the core dataset, aside from basic file type change to json for (un)packaging with matminer. Reproduced under the Creative Commons 4.0 license, which can be found here: <a class="reference external" href="http://creativecommons.org/licenses/by/4.0/">http://creativecommons.org/licenses/by/4.0/</a>.</p>
<p><strong>Number of entries:</strong> 16414</p>
<table class="colwidths-given docutils align-left">
<colgroup>
<col style="width: 20%" />
<col style="width: 80%" />
</colgroup>
<thead>
<tr class="row-odd"><th class="head"><p>Column</p></th>
<th class="head"><p>Description</p></th>
</tr>
</thead>
<tbody>
<tr class="row-even"><td><p><code class="code docutils literal notranslate"><span class="pre">composition</span></code></p></td>
<td><p>Chemical formula.</p></td>
</tr>
<tr class="row-odd"><td><p><code class="code docutils literal notranslate"><span class="pre">Tc</span></code></p></td>
<td><p>Experimental superconducting temperature, in K.</p></td>
</tr>
</tbody>
</table>
<p><strong>Reference</strong></p>
<p><a class="reference external" href="https://doi.org/10.1038/s41524-018-0085-8">https://doi.org/10.1038/s41524-018-0085-8</a></p>
<p><strong>Bibtex Formatted Citations</strong></p>
<div class="highlight-text notranslate"><div class="highlight"><pre><span></span>@article{Stanev2018, doi = {10.1038/s41524-018-0085-8}, url = {https://doi.org/10.1038/s41524-018-0085-8}, year = {2018}, month = jun, publisher = {Springer Science and Business Media {LLC}}, volume = {4}, number = {1}, author = {Valentin Stanev and Corey Oses and A. Gilad Kusne and Efrain Rodriguez and Johnpierre Paglione and Stefano Curtarolo and Ichiro Takeuchi}, title = {Machine learning modeling of superconducting critical temperature}, journal = {npj Computational Materials} }

@misc{NIMSSuperCon, howpublished={http://supercon.nims.go.jp/index_en.html}, title={SuperCon}, author={National Institute of Materials Science, Materials Information Station}}
</pre></div>
</div>
</div>
<div class="section" id="wolverton-oxides">
<h2>wolverton_oxides<a class="headerlink" href="#wolverton-oxides" title="Permalink to this headline"></a></h2>
<p>4,914 perovskite oxides containing composition data, lattice constants, and formation + vacancy formation energies. All perovskites are of the form ABO3. Adapted from a dataset presented by Emery and Wolverton.</p>
Expand Down Expand Up @@ -2454,6 +2490,7 @@ <h3><a href="index.html">Table of Contents</a></h3>
<li><a class="reference internal" href="#piezoelectric-tensor">piezoelectric_tensor</a></li>
<li><a class="reference internal" href="#ricci-boltztrap-mp-tabular">ricci_boltztrap_mp_tabular</a></li>
<li><a class="reference internal" href="#steel-strength">steel_strength</a></li>
<li><a class="reference internal" href="#superconductivity2018">superconductivity2018</a></li>
<li><a class="reference internal" href="#wolverton-oxides">wolverton_oxides</a></li>
</ul>
</li>
Expand Down Expand Up @@ -2489,7 +2526,7 @@ <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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Table of Datasets</a></li>
</ul>
</div>
Expand Down
6 changes: 3 additions & 3 deletions docs/example_bulkmod.html
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>Predicting bulk moduli with matminer &#8212; matminer 0.7.4 documentation</title>
<title>Predicting bulk moduli with matminer &#8212; matminer 0.7.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script 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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Predicting bulk moduli with matminer</a></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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">Predicting bulk moduli with matminer</a></li>
</ul>
</div>
Expand Down
8 changes: 4 additions & 4 deletions docs/featurizer_summary.html
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
<head>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>bandstructure &#8212; matminer 0.7.4 documentation</title>
<title>bandstructure &#8212; matminer 0.7.5 documentation</title>
<link rel="stylesheet" href="_static/nature.css" type="text/css" />
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<script 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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">bandstructure</a></li>
</ul>
</div>
Expand Down Expand Up @@ -628,7 +628,7 @@ <h3>bonding<a class="headerlink" href="#id1" title="Permalink to this headline">
<h3>composite<a class="headerlink" href="#id2" title="Permalink to this headline"></a></h3>
<p><code class="code docutils literal notranslate"><span class="pre">matminer.featurizers.structure.composite</span></code></p>
<blockquote>
<div><p>Structure featurizers producing more than one kind of structue feature data.</p>
<div><p>Structure featurizers producing more than one kind of structure feature data.</p>
</div></blockquote>
<table class="colwidths-given docutils align-left">
<colgroup>
Expand Down Expand Up @@ -918,7 +918,7 @@ <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 0.7.4 documentation</a> &#187;</li>
<li class="nav-item nav-item-0"><a href="index.html">matminer 0.7.5 documentation</a> &#187;</li>
<li class="nav-item nav-item-this"><a href="">bandstructure</a></li>
</ul>
</div>
Expand Down
Loading

0 comments on commit 4f19265

Please sign in to comment.