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lilyminiumlilyminium
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Merge pull request #138 from openforcefield/230-full
Add 2.3.0
2 parents b90f033 + bb0dc9e commit 88e576c

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‎.zenodo.json‎

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"creators": [
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{
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"orcid": "0000-0002-6095-6704",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"name": "Wang, Lily"
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},
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{
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},
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{
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"orcid": "0000-0002-7210-1164",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"name": "McIsaac, Alexandra R."
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},
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{
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"orcid": "0000-0002-8246-5113",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"name": "Mitchell, Joshua A."
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},
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},
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{
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"orcid": "0000-0002-1460-3983",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"name": "Thompson, Matthew W."
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},
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{
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"orcid": "0000-0001-6448-0873",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"name": "Wagner, Jeffrey"
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},
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{
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"orcid": "0000-0002-6878-0192",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis, CA, USA",
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"name": "Westbrook, Brent R."
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},
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{
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"orcid": "0000-0001-9145-6457",
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"affiliation": "OpenEye Scientific Software, Santa Fe, NM, USA",
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"name": "Bayly, Christopher"
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},
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{
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"orcid": "0000-0003-0542-119X",
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"affiliation": "Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY, USA",
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"name": "Chodera, John"
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},
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{
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"orcid": "0000-0003-2933-0719",
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"affiliation": "School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1, 7RU, United Kingdom",
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"name": "Cole, Daniel"
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},
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{
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"orcid": "0000-0003-3249-1097",
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"affiliation": "Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO, USA",
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"name": "Shirts, Michael"
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},
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{
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"orcid": "0000-0002-1083-5533",
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"affiliation": "Pharmaceutical Sciences, University of California Irvine, Irvine, CA, USA",

‎README.md‎

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| Filename | FF line | Release Date | Major format changes? | Fitting repo | DOI |
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|---------------------------------------------|---------|---------------|-----------------------|-------------------------------------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------|
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| `openff_no_water-3.0.0-alpha0.offxml` | Sage | Oct 20, 2025 | No | [ | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17401377.svg)](https://doi.org/10.5281/zenodo.17401377) |
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| `openff_no_water_unconstrained-3.0.0-alpha0.offxml` | Sage | Oct 20, 2025 | No | [ | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17401377.svg)](https://doi.org/10.5281/zenodo.17401377)|
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| `openff-2.3.0.offxml` | Sage | Jan 9, 2025 | NAGLCharges instead of ToolkitAM1BCC | [repo](https://github.com/openforcefield/ash-sage-rc2) | DOI TO COME |
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| `openff_unconstrained-2.3.0.offxml` | Sage | Jan 9, 2025 | NAGLCharges instead of ToolkitAM1BCC | [repo](https://github.com/openforcefield/ash-sage-rc2) | DOI TO COME |
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| `openff_no_water-3.0.0-alpha0.offxml` | Sage | Oct 20, 2025 | No | | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17401377.svg)](https://doi.org/10.5281/zenodo.17401377) |
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| `openff_no_water_unconstrained-3.0.0-alpha0.offxml` | Sage | Oct 20, 2025 | No | | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17401377.svg)](https://doi.org/10.5281/zenodo.17401377)|
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| `openff-2.3.0-rc2.offxml` | Sage | Oct 10, 2025 | NAGLCharges instead of ToolkitAM1BCC | [repo](http://github.com/lilyminium/ash-sage-rc2) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17298486.svg)](https://doi.org/10.5281/zenodo.17298486) |
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| `openff_unconstrained-2.3.0-rc2.offxml` | Sage | Oct 10, 2025 | NAGLCharges instead of ToolkitAM1BCC | [repo](http://github.com/lilyminium/ash-sage-rc2) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17298486.svg)](https://doi.org/10.5281/zenodo.17298486) |
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| `openff-2.3.0-rc1.offxml` | Sage | Sep 12, 2025 | NAGLCharges instead of ToolkitAM1BCC | [repo](http://github.com/lilyminium/ash-sage-rc1) | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17103546.svg)](https://doi.org/10.5281/zenodo.17103546) |
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- `2025.10.1` This release adds the openff-3.0.0-alpha0 force fields. See the release notes for more details.
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- `2026.01.0` This release adds the Sage 2.3.0 force fields. See the release notes for more details.
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## Authorship
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