Posts from 2020-12
The structure and interpretation of scientific models
It is often said that science rests on two pillars, experiment and theory. Which has lead some to propose one or two additional pillars for the computing age: simulation and data analysis. However, the real two pillars of science are observations and models. Observations are the input to science, in the form of numerous but incomplete and imperfect views on reality. Models are the inner state of science. They represent our current understanding of reality, which is necessarily incomplete and imperfect, but understandable and applicable. Simulation and data analysis are tools for interfacing and thus comparing observations and models. They don't add new pillars, but transforms both of them. In the following, I will look at how computing is transforming scientific models.
Some comments on AlphaFold
Many people are asking for my opinion on the recent impressive success of AlphaFold at CASP14, perhaps incorrectly assuming that I am an expert on protein folding. I have actually never done any research in that field, but it's close enough to my research interests that I have closely followed the progress that has been made over the years. Rather than reply to everyone individually, here is a public version of my comments. They are based on the limited information on AlphaFold that is available today. I may come back to this post later and expand it.
Tags: computational science, computer-aided research, emacs, mmtk, mobile computing, programming, proteins, python, rants, reproducible research, science, scientific computing, scientific software, social networks, software, source code repositories, sustainable software
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