Chemistry Blog

Tag Archive: open source

May 09

Gaussian’s Banhammer


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In my last post, I briefly covered the ‘share or not to share’ debate involving non-commercial software. In this post I’ll delve deeper into the issue by discussing how commercially available research software further complicates the situation. I’ll focus on perhaps one of the most controversial conflicts in the chemistry software: Gaussian Inc. vs Banned …

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May 04

The Source Code Debate


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Few researchers were using computers 30 years ago.  This quickly changed with the release of several commercially viable personal computers in the 1980s. Since then, processing power has increased and the cost of computers decreased at an exponential rate (see Moore’s Law). It’s no surprise that computers are now pivotal in chemistry research. We use …

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Apr 24

Successful Failures


Many, if not the majority, of research projects end up as ‘failures’. I use the term failure because the project simply fails to reach the pre-defined goals. Useful knowledge is usually still gained, such as why you could not reach the goal or why the goal is unreachable. Unfortunately, knowledge about what not to do …

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Apr 06

Open-source chemistry: still on the frontier


For most organic chemists (or synthetic chemists in general), if you were to ask them which program they use most on a day-to-day basis, there would be one overwhelmingly popular answer: ChemDraw.  The ChemBioOffice suite from CambridgeSoft is like the Excel of the chemistry world: a program so good, and so widely used that thinking …

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