Hackathon + Community Day: Chemistry Challenge

One of the topics at next week’s Hackathon + Community Day will be generative drug design and AI. It’s an exciting time to be in the field! The team is looking forward to seeing everyone on 24-25 October. There are still seats left for the Hackathon. Here are some details about the Chemistry Challenge:

  • Build a protocol that executes an optimization cycle
  • Start with an initial structure of varying complexity (as simple as methane or as complicated as a drug-like structure)
  • Use “out of the box” Pipeline Pilot Enumeration Components or the Molecular Toolkit to Enumerate libraries
  • Score and filter the molecules
  • Identify the top 10 structures

Attendance is free. To register for Boston (October 24-25), click here. To register for Brussels (November 14-15), click here.