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For the @CarnegieMellon computer graphics take-home final, students have to implement a basic molecular dynamics (MD) simulator.
MD is a basic tool in computational chemistry, drug discovery, and understanding diseases like COVID-19.
Give it a try here!
github.com/CMU-Graphics/m…
MD is a basic tool in computational chemistry, drug discovery, and understanding diseases like COVID-19.
Give it a try here!
github.com/CMU-Graphics/m…
Disclaimer: this is a simplified exercise for a final exam and should not be used for serious scientific work! It omits important forces and uses nonphysical constants.
Visualization is provided via the excellent #Polyscope library by CMU alumn @nmwsharp: polyscope.run
Visualization is provided via the excellent #Polyscope library by CMU alumn @nmwsharp: polyscope.run
Bonus question: can you identify the molecule? :-)
