Open Force Field Initiative
Published January 13, 2026 | Version 2026.01.0
Software Open

openforcefield/openff-forcefields

Authors/Creators

  • 1. Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA
  • 2. Open Free Energy, Open Molecular Software Foundation, Davis, CA, USA
  • 3. Pharmaceutical Sciences, University of California Irvine, Irvine, CA, USA
  • 4. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA
  • 5. Department of Chemistry, University of California Irvine, Irvine, CA, USA
  • 6. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1, 7RU, United Kingdom
  • 7. Department of Chemistry, University of California Davis, Davis, CA, USA
  • 8. OpenEye Scientific Software, Santa Fe, NM, USA
  • 9. Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY, USA
  • 10. Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO, USA

Description

This release adds openff-2.3.0.offxml and openff_unconstrained-2.3.0.offxml. Sage 2.3.0 is the first OpenFF force field to use the AshGC neural network charge model to assign charges. Both vdW parameter values and valence parameter values have been re-fit. Compared to 2.2.1, it splits torsions so that a single torsional parameter only covers a central bond with a single multiplicity. It also adds some bond and angle parameters to fix targeted chemistries. Sage 2.3.0 is identical to Sage 2.3.0-rc2. The fitting files can be found here: https://github.com/openforcefield/ash-sage-rc2/releases/tag/2.3.0

This force field is applicable to druglike molecules consisting of the elements C, H, O, N, P, S, F, Cl, Br, and I, atomic Xe, and the monoatomic ions Li+, Na+, K+, Rb+, Cs+, F-, Cl-, Br-, and I-. The parameters have been co-optimized to TIP3P water, therefore this force field also contains parameters for TIP3P, including bond length constraints.

Files

openforcefield/openff-forcefields-2026.01.0.zip

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Additional details

Related works

Is supplement to
Software: https://github.com/openforcefield/openff-forcefields/tree/2026.01.0 (URL)

Software

Repository URL
https://github.com/openforcefield/openff-forcefields