Force Fields

 

 

 

This space is dedicated to research topics relevant for force field development and releases. It should contain only roadmaps, project plans, study designs and results, while all meeting notes should be stored in https://openforcefield.atlassian.net/wiki/spaces/MEET and linked back if/when important decisions are made at the meeting.

This space is approximately organized to reflect different stages of maturity of research projects leading to new features and force field releases, as illustrated on the figure below.

 

In order of maturity:

  1. Exploratory studies and ongoing research projects should be filed under https://openforcefield.atlassian.net/wiki/spaces/FF/pages/2243756033. New pages should be created for new research topics, while any extensions of the ongoing work should be filed under the appropriate parent page.

  2. A specific list of features, final design plans and any following iterations for each force field release (major or minor) should be filed and tracked in https://openforcefield.atlassian.net/wiki/spaces/FF/pages/92045652.

  3. All work related to benchmarking should be listed in .

  4. Known issues with the existing force fields should be filed under .

Most of parent pages and relevant subpages in this space should be linked to the science roadmap.

Where to find OpenFF force fields

The full list of force field releases up to date can be found on Github and our website.

 

 

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