2021-07-19 Core Developers meeting notes

Updates

• JW

  • Vacation for a lot of past two weeks

  • ParmEd/OFFTK #1019

  • Benchmarking release w/ Dotson.

    • Next release needs

      • sage rc1 to be pacakges/available (done, with new openforcefields pacakge)

      • new analysis method (LD is working on this)

    • LD Found that sage rc1 has a high error rate in MM minimizations, though it could be due to compute resources. DD is working on reproducing with public dataset

  • Next up

    • Finish debugging OFFTK #1019 and update notebook

    • Announce new FFs (1.3.1 and 2.0.0-rc1)

    • Followup workshops announcement

    • Fox analysis debugging

    • Benchmarking release

    • 0.9.3 OFFTK release

Sprint planning