Benchmarking

• GenBench3D: Benchmarking structure-based three-dimensional molecular generative models using GenBench3D
  
  
  

Expert Feedback

• GuacaMol: Framework for benchmarking models in de novo molecular design, providing a standard suite of tests to evaluate the performance of generative models in producing molecules with desired properties.
  
  
  
• moses:
  
  
  
• SMINA Docking Benchmark: We Should at Least Be Able to Design Molecules That Dock Well