Category Archives: Software

Open Science Codefest

The National Center for Ecological Analysis and Synthesis (NCEAS) at UCSB is co-sponsoring the Open Science Codefest 2014, which aims to bring together researchers from ecology, biodiversity science, and other earth and environmental sciences with computer scientists, software engineers, and developers to collaborate … Continue reading

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Stripe’s Open Source Retreat

The Open-Source Retreat that is being sponsored by stripe looks quite intriguing.  Stripe relies on a lot of open source software, and they’ve announced a program to give a grant to a small number of developers to come to San Francisco to work … Continue reading

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New PLOS Open data policy

PLOS has announced some changes to their publishing policies, and these changes are great news.  The new PLOS policies will go a significant way towards encouraging open data and open source.  Although the announcement itself is somewhat vague on the … Continue reading

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OpenAPIs for scientific instrumentation?

An interesting question from Dale Smith:  Are there OpenAPIs for remote sensing and monitoring of scientific instruments?  Dale pointed us at this very cool RSOE EDIS alert map as an example of what could be possible with distributed consumer-grade sensors … Continue reading

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Playing with MultiGraph

I’ve been playing around with a cool JavaScript library called MultiGraph which lets you interact with graphical data embedded in a blog post.   The data format is a simple little xml file called a “MUGL“.   Here’s a sample … Continue reading

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SimThyr – simulation software for pituitary thyroid feedback

This is a bit outside our normal area of expertise, but it looks interesting. Thyroid hormones play an important role in metabolism, growth and differentiation. Therefore, exact regulation of thyroid hormone levels is vital for most organisms. The mechanism for the feedback … Continue reading

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Reversible Random Number Generators

This news comes by way of John Parkhill, my new colleague here at Notre Dame. William G. Hoover (of the Nosé-Hoover Thermostat) and Carol G. Hoover issued a $500 challenge on arXiv to generate a time-reversible random number generator.  The … Continue reading

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Relax – Molecular dynamics by NMR data analysis

Edward d’Auvergne pointed out the relax program, which looks like a useful way to connect experimental NMR spectra with molecular dynamics simulations. relax is designed for the study of molecular dynamics of organic molecules, proteins, RNA, DNA, sugars, and other … Continue reading

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Overture – A C++ toolkit for Solving PDEs in Complex Geometries

This looks useful!   The partial differential equations (PDEs) we solve in my lab are the equations of motion for atoms in molecular dynamics.  These are relatively easy to integrate numerically.  Lots of labs work with harder PDE problems  (like … Continue reading

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SASSIE – Create atomistic models from Small Angle scattering data

Here’s a neat bit of “bridge” or “glue” software for today – SASSIE is a python-based suite for creating atomistic models of molecular systems in order to compare those models directly to data from small-angle X-ray scattering (SAXS) and small-angle … Continue reading

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