The Open Force Field Initiative (OpenFF) is collaboration focused on the development of 1) extensible, open source toolkits for constructing, applying, and evaluating force fields; 2) the curation of public datasets necessary to build high-accuracy biomolecular force fields; and 3) the generation of improved molecular force fields for biomolecular and other soft matter applications. In this talk, I will discuss recent efforts by OpenFF to simplify the existing force field framework for organic molecules, put force field development in an explicitly data-driven context, and gather the data needed to make this effort possible. In particular, an important part of our goal is to make force field development reproducible and automated. I will describe our first generations of general organic molecule force fields, Parsley and Sage, and their performance on large-scale benchmarks. I will also discuss the tools we have developed for easily parameterizing molecules with Open FF tools and using them across a range of simulation platforms and our current plans for incorporating biopolymers into the Open FF effort.
