When using Open Force Field parameters or software in your research, please cite the appropriate works from below. If multiple citations are listed for an item, we recommend citing all of the suggested references.

Core Citations

Force fields

• Parsley (Qiu et al., 2021 + Specific version DOI)

• Sage (prior to 2.3.0)(Boothroyd et al., 2023 + Specific version DOI)

• Sage (2.3.0 with AshGC charge model)(Wang et al., 2026 + Specific version DOI)

Software

• OpenFF Toolkit (Mobley et al., 2018 + Specific version DOI)

• OpenFF BespokeFit (Horton et al., 2022)

• OpenFF Evaluator (Boothroyd et al., 2022 + Specific version DOI)

• OpenFF Interchange (Specific version DOI)

Auxiliary Citations

Research

• WBO interpolation (Stern et al. preprint)

Background

• SMIRNOFF99frosst (Mobley et al., 2018)

• The Open Force Field Initiative (Wang et al., 2024)

If you are the author of a paper that should be cited by anyone using OpenFF, and it’s not listed here, please open a pull request to our website to add it!