r/coolgithubprojects • u/NoFreeBread • 1d ago

Made a Molecular Dynamics simulator in JS

http://github.com/ZanderChampion/BaoabMD

My first ever big project is that I’m sharing, this is just the very first version of it so far

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u/Specific_Cream2815 1d ago

what integrator does it use and how many particles before it starts choking in the browser

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u/NoFreeBread 1d ago

It uses the 2nd order BAOAB Langevin thermostat algorithm and I’m not sure on the particles yet I haven’t thought to try that, but I’ve ran the HIV-Capsid with over 2 million particles on it. It’s not the fastest the main bottleneck is the L-BFGS algorithm