open force field

An open and collaborative approach to better force fields

June 15, 2022 Advisory Board Meeting

Posted on 15 Jun 2022 by Diego Nolasco

The Open Force Field Consortium Advisory Board met on June 15, 2022. The minutes are summarized as follows:

Lily Wang as the new Science Lead

  • D. Nolasco announced that Lily Wang is our new Science Lead.

New membership model

  • K. Condic-Jurkic has responded to a request from some board members and offered additional clarification regarding the new membership model. The topic of greatest impact referred to the “master agreement” with the OMSF where each funder will be able to indicate which project or projects they will fund. Another very important point refers to the possibility of greater involvement of members with the governance of the OMSF.

Potential long-term project relating to proprietary boron chemistry

  • D. Mobley announced that Reactive Biosciences is interested in force fields for unusual boron chemistry. They are currently planning to join as regular OpenFF partners, but would also like to expand their support if they can work with us to create a more targeted boron forcefield. This would be based on a proprietary dataset of unique boron compounds that they can make that have chemistry that doesn’t appear in public datasets. Therefore, the final force field could be public/open, but not the training dataset.

Benchmark paper review

  • J. Wagner announced that the benchmark manuscript has been finalized and that it is now awaiting reviews from the industry partners involved. The current draft is being circulated on the dedicated Slack channel.