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RDKit in Jupyter Notebooks

RDKit in Jupyter Notebooks

The Jupyter Notebook is an open-source web application that allows the creation and sharing of documents that can contain embedded Python code, and, data visualizations in SVG (Scalable Vector Graphics), and text. When analyzing data that has an associated molecular structure, it would be useful to visualize the structure within the current Jupyter notebook page rather than finding the record in the dataset and copy/pasting the raw structure format into another application. RDKit is an open source cheminformatics software toolkit…

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Windows Mixed Reality Developers Edition

Windows Mixed Reality Developers Edition

The developer’s editor VR (Virtual Reality) hardware was announced at Build 2017 however since the announcement very little information has been released. The dev kits started to ship two month ago; this article is my impression of the hardware and software based on the Acre Developers Edition headset. As this is a developers release, you would expect some rough edges and “issues”. The instructions for getting the headset up and running are straightforward, they equated to open the box and…

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The Age of the Connected Scientist.

The Age of the Connected Scientist.

Paper, Paper everywhere as far as the eye can see. When I first started working in a lab fresh out of university everything was recorded in paper notebooks (OK I might be dating myself here). At the end of each day we wrote up the days experiment, pasted in printouts from balances, signed across the printout and the page (to ensure that the printout was not tampered with) and signed the bottom of each page. At the end of the week…

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Visual Studio 2015 Debug Tools

Visual Studio 2015 Debug Tools

Sometimes I just want to run my Universal Windows Application in debug mode and do some exploratory testing, or just test drive a new change. However, when Visual Studio creates a new project it enables the diagnostic tools and frame rate counter by default. To prevent the Diagnostic Tools from starting when you debug go to the Debug-> Options dialog and uncheck the “Enable Diagnostic Tools while debugging”. To prevent the XAML tools from starting, in the Debug -> Options…

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A year with MS Band

A year with MS Band

Prolog I rarely purchase version 1 hardware (or software), I tend to wait for the reviews to come out, then the first service pack or hardware update to be released and only then I consider whether I really want the item. I had looked at a couple of other fitness bands and has almost purchased one of the ill fated “Up” bands but most of the fitness trackers did not support my Windows phone or were lacked support for one…

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