June 3, 2020 Presentation Open Access

Martin Himly (PLUS); Iseult Lynch; Dieter Maier; Philip Doganis

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    <subfield code="a">&lt;p&gt;Under the subtitle &lt;strong&gt;&amp;ldquo;Take your research from the bench to the community by making your models available as a web service&amp;rdquo;,&lt;/strong&gt; attendees learned how to use the &lt;em&gt;Jaqpot&lt;/em&gt; suite and python to go from data to model, starting from a common CSV file.&amp;nbsp;&lt;/p&gt;

&lt;p&gt;&lt;em&gt;Jaqpot &lt;/em&gt;is a computational platform for &lt;em&gt;in silico&lt;/em&gt; modelling of chemical compounds, that provides both access to its services both over a User Interface (GUI) and an Application Programming Interface (API). It is a cloud-ready application that uses the benefits of Java, R and Python, having incorporated functionality by various established and open-source machine learning and data analysis toolkits, while algorithms in any programming algorithm can be added to Jaqpot.&lt;/p&gt;

&lt;p&gt;Attached you find the following presentations:&lt;/p&gt;

&lt;p&gt;1. Intro to NanoCommons by Martin Himly, PLUS&lt;/p&gt;

&lt;p&gt;2. Electronic Lab Notebooks by Iseult Lynch, UoB&lt;/p&gt;

&lt;p&gt;3. NanoCommons Knowledgebase by Dieter Maier, Biomax&lt;/p&gt;

&lt;p&gt;4. Jaqpot Suite by Philip Doganis, NTUA&lt;/p&gt;</subfield>
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