October 1, 2021 Dataset Open Access

Fiedler, Lenz; Shah, Karan; Cangi, Attila; Bussmann, Michael

DCAT Export

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    <dct:title>Dataset and scripts for A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry</dct:title>
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    <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2021-10-01</dct:issued>
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    <dct:description>&lt;p&gt;This dataset contains additional data for the publication &amp;quot;A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry&amp;quot;. Its goal is to enable interested people to reproduce the citation analysis carried out in the aforementioned publication. &amp;nbsp;&lt;/p&gt; &lt;p&gt;&amp;nbsp;&lt;/p&gt; &lt;p&gt;&lt;strong&gt;Prerequesites&lt;/strong&gt;&lt;/p&gt; &lt;p&gt;The following software versions were used for the python version of this dataset:&lt;/p&gt; &lt;p&gt;Python: 3.8.6&lt;/p&gt; &lt;p&gt;Scholarly: 1.2.0&lt;/p&gt; &lt;p&gt;Pyzotero: 1.4.24&lt;/p&gt; &lt;p&gt;Numpy: 1.20.1&lt;/p&gt; &lt;p&gt;&amp;nbsp;&lt;/p&gt; &lt;p&gt;&lt;strong&gt;Contents&lt;/strong&gt;&lt;/p&gt; &lt;p&gt;results/ : Contains the .csv files that were the results of the citation analysis.&amp;nbsp; Paper groupings follow the ones outlined in the publication.&lt;/p&gt; &lt;p&gt;scripts/ : Contains scripts to perform the citation analysis.&lt;/p&gt; &lt;p&gt;Zotero.cached.pkl : Contains the cached Zotero library.&lt;/p&gt; &lt;p&gt;&amp;nbsp;&lt;/p&gt; &lt;p&gt;&lt;strong&gt;Usage&lt;/strong&gt;&lt;/p&gt; &lt;p&gt;In order to reproduce the results of the citation analysis, you can use citation_analysis.py in conjunction with cached Zotero library. Manual additions can be verified using the check_consistency script.&lt;br&gt; Please note that you will need a Tor key for the citation analysis, and access to our Zotero library if you don&amp;#39;t want to use the cached version. If you need this access, simply contact us.&lt;/p&gt; &lt;p&gt;&amp;nbsp;&lt;/p&gt;</dct:description>
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