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Well, maybe they could not run the full experiment, but maybe they could audit the source code of the computation you ran, maybe just a small subset of the computation on for example a synthetic smaller dataset, that could maybe be used to test whether your computation works like it should.

Did you think about the replicability of your research while you were working on it?




Gromacs (the code we used) is open source. MSM, the code we used to analyze the data, is open source. We ported MSM to an internal Google framework (Flume), so the resulting code could be open sourced, but wold be lacking the Flume framework to run inside.

As for thinking about replicability, sure I thought about it. That's why we released all the data we generated and described our methods in detail- so pharma and academics could use the data with confidence to design new drugs that target GPCRs. I also decided that rather than focus on replicability, I would focus on discovery and sharing, and I think that actually is a better use of my time as well as the time of other scientists.




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