Open Force Field
openforcefield.org
Open Force Field
@openforcefield.org
More details on training and benchmarking Sage 2.3.0 are available in our preprint: bsky.app/profile/open...
New preprint describing our GNN charge model, AshGC!

Since QM methods of charge assignment scale poorly to larger molecules, and are also conformation dependent, AshGC leads to major performance improvements in this critical step in force field parameterization.

chemrxiv.org/engage/chemr...
Developing and benchmarking Sage 2.3.0 with the AshGC neural network charge model
We report a new charge model and a new general small molecule force field. Here, we address the development and benchmarking of both the Open Force Field (OpenFF) AshGC charge model, as well as the Sa...
chemrxiv.org
January 14, 2026 at 1:30 AM
And in Python:
>>> from openff.toolkit import Molecule, ForceField
>>> forcefield = ForceField("openff-2.3.0.offxml")
>>> molecule = Molecule.from_smiles("CCO")
>>> interchange = forcefield.create_interchange(molecule.to_topology())
January 14, 2026 at 1:28 AM
The easiest way to try out Sage 2.3.0 is by creating a new environment with the latest OpenFF ForceFields:

micromamba create -n openff -c conda-forge "openff-toolkit>=0.17" "openff-forcefields==2026.01.0"

micromamba activate openff
January 14, 2026 at 1:28 AM
Sage 2.3.0 maintains or improves performance on all of our benchmarks except solvation free energies in nonaqueous solvents. Please try it out and let us know if you find any substantial improvements, regressions, or other issues in comparison to Sage 2.2.1!
January 14, 2026 at 1:26 AM
AshGC is used in our latest force field, Sage 2.3.0
January 6, 2026 at 6:26 PM
Thomas Steinbrecher joins as an elected representative of the industry partners who fund our efforts and provide advice and direction. He has been an active and influential voice in this community, and we appreciate his commitment to the success of the project.
December 16, 2025 at 2:43 PM
Danny Cole joins as an additional PI, in recognition of the central role his independent research has been playing in advancing the science and infrastructure of Open Force Field.
December 16, 2025 at 2:43 PM
Our seven-member Governing Board includes two elected representatives from supporting Partners and five Principal Investigators. The Governing Board makes strategic operational decisions and oversees expenditures.
December 16, 2025 at 2:43 PM
The Open Force Field Consortium is a pre-competitive, industry-funded effort to build more accurate force fields and to improve predictive power of computational drug discovery techniques.
December 16, 2025 at 2:42 PM
Installation instructions and usage examples are available in the repository README at github.com/openforcefie...
GitHub - openforcefield/ptm_prototype
Contribute to openforcefield/ptm_prototype development by creating an account on GitHub.
github.com
November 25, 2025 at 8:17 PM
Pablo v0.2.0 includes expanded custom residue definition capabilities, including the ability to define "anonymous" residues that don't rely on atom names. The workflow demonstrates parameterizing a post-translationally modified protein system and running a short OpenMM simulation.
November 25, 2025 at 8:16 PM
The updated workflow uses a new tool (openff-pablo v0.2.0) for loading modified proteins from PDB files and the new prototype Rosemary force field (OpenFF 3.0.0 alpha 0) for a self-consistent treatment of both canonical and noncanonical protein residues.
November 25, 2025 at 8:16 PM
The scientific work is still ongoing, but we’re releasing a prototype version so you can try it out now and learn how it will fit into your workflow once it’s fully ready for production.
November 25, 2025 at 8:16 PM
Years of research on modeling proteins are beginning to pay off in a new force field that can do something no other publicly available force field can do: accurately model proteins, peptides, and general organic molecules with one consistent set of parameters.
November 25, 2025 at 8:15 PM
Compared to Sage 2.2.1, Sage 2.3.0-rc2 splits torsions so that a single torsional parameter only covers a central bond with a single multiplicity. It also adds some bond and angle types to improve performance of targeted chemistries, such as small rings.
October 10, 2025 at 3:11 PM