Page Comparison

...

• David Dotson

• David W.H. Swenson

• Irfan Alibay

• Jenke Scheen

• Levi Naden

• Mike Henry

• Richard Gowers

• Jeffrey Wagner

• Meghan Osato

• John Chodera

• Iván Pulido

Recording: https://drive.google.com/file/d/1odWz9mNOlklfnksYwrTq2wF_fKoLV6mV/view?usp=share_link

Goals

• DD : alchemicale v0.1.0 released!!! 🎆

  • deployed to https://api.alchemiscale.org

  • first user credentials issued to:

    • Meghan Osato : openff

    • Jenke Scheen : asap

    • Irfan Alibay : openfe

  • compute services ready for Lilac GPU hosts servicing all scopes

    • question on OE license restrictions

  • user instructions: Protein-Ligand Binding Free Energy Benchmarks via alchemiscale

• RG : openfe release status with latest RelativeHybridTopologyProtocol

• DD : current sprint - ends 4/24

  • architecture overview : https://drive.google.com/file/d/1ZA-zuqrhKSlYBEiAIqxwNaHXvgJdlOkT/view?usp=share_link

  • alchemiscale 0.2.0 milestone:

    • Github link macro
      link https://github.com/openforcefield/alchemiscale/milestone/4

  • coordination board : alchemiscale : Phase 2 - User Feedback and Documentation

  • updates on In Review, In Progress, and Available cards

• JC : interest in network planning, posing, and ATM and SOMD?

  • dedicate a future call to a discussion on directions for these?

...