2024-02-14 All-hands meeting notes

Updates

Shout-outs

• Yuanqing’s blog post

  • Self-consistently simulating small molecules, proteins and RNAs with the "espaloma-0.3" force field

• Josh Mitchell got RNA simulations running with our infrastructure, a feat which some believed impossible. MT and JW were able to use his partial example to work through infrastructure issues.

• QC datasets are in flight again

• JW gave a talk about “the business of free” at the Mobley group meeting https://docs.google.com/presentation/d/1VfGnYFyF2-Z8lYQVRpLZ9QajvqhVJG-sWPVzzSkPgC8/edit#slide=id.g1f0e17679fd_0_419 , will become a blog post eventually

• Mini workshops have 63 registrants and counting!

Roadmap ideas

• If you could wave a magic wand and have one change, new feature, or achievement in our software or community, what would it be?

  • Parameter quality predictor

  • Improved training data - Could make more specific data to have more training data for each parameter.

  •  

  •  

  •  

Q&A