open force field

An open and collaborative approach to better force fields

Oct 20, 2021 Advisory Board Meeting

Posted on 20 Oct 2021 by Diego Nolasco

The Open Force Field Consortium Advisory Board met on October 20, 2021. The minutes are summarized as follows:

Espaloma as a potential next-generation OpenFF Technology

  • D. Mobley presented Espaloma as a potential next-generation technology for the OpenFF force field, inviting the advisors for deeper discussions on our #espaloma channel on Slack. The software has been produced by J. Chodera’s lab, and partially supported by NIH funding.

F@H Interface for Benchmarking

  • D. Mobley announced that the team needs to have some autonomy with regards to running binding free energy calculations to benchmark our force field. To address the issue, D. Dotson will start working on automating the submission of our compute jobs for free energy benchmarking on Folding@Home.

Governing Board Election

  • D. Mobley announced that K. Meier and T. Fox are the current candidates. A call for votes will be put in the Advisory Board Channel on Slack.