Benchmarks

The Experiment class provides a generic way of representing chemical reactions, virtual or real. We leverage this class to create the benchmarks available here. To get some insight into how to hook Summit up to real experimetns, look at the tutorial.

Here, we present the already implemented benchmarks and show you how to create new onces.

• Already Implemented Benchmarks
  • SnAr Benchmark
  • C-N Benchmark
• Creating New Benchmarks
  • Google Colab
  • Create the domain
  • Create the Experimental Emulator
  • Experimental Emulator API
• Experiment