2021-04-21 Benchmarking for Industry Partners - Development Meeting notes

Updates

• DD: torsiondrive executor - haven’t swung around to this since last week

  • interest in this going into its own package?

  • JH: think scope is executors for optimization, torsiondrive

  • JW: would this be a good candidate for openff-toolkit-base?

  • Name:

    • openff-emin 2

    • openff-gopt 2 2

    • openff-qcexec 3

    • openff-qchammer 3 1

    • openff-oneshot 1

    • openff-qcrevolver

    • openff-qcshot 3

    • openff-qcwrangler 1

• [decision]: openff-gopt