Latest Posts
A simple MDAnalysis to RDKit converter
Today, a quick update on my progress with the RDKit converter! It’s already working (with very minor tweaks) for MOL2 files, and any other format that contains bond orders or bond types.
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From RDKit to the Universe
After almost 2 weeks since my last post, it’s time for me to report on all the cool things I’ve learned and the features I’ve developed so far!
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Starting GSoC with MDAnalysis
This week I’m starting my Google Summer of Code (GSoC) project with MDAnalysis 😀 The goal of the project is to make RDKit and MDAnalysis interoperable (i.e. you can go back and forth between an RDKit molecule and an MDAnalysis universe).
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Interactive Choropleth Maps with Bokeh
This is an advanced guide to make interactive and animated choropleth maps with Python and the Bokeh library. If you are not familiar with bokeh, please start with their simple tutorials here.
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