Published October 20, 2025
| Version v1
Presentation
Open
Open Force Field 3.0.0 Alpha Force Field Benchmarks
Authors/Creators
-
Cavender, Chapin E.
(Researcher)1
-
Alibay, Irfan
(Researcher)2
-
Behara, Pavan K.
(Researcher)3
-
Clark, Jennifer A.
(Researcher)2
-
Friedman, Anika
(Researcher)4
-
Hoeflich, Julianne
(Researcher)4
-
Horton, Joshua T.
(Researcher)2
-
Mitchell, Joshua
(Researcher)2
-
Smith, Louis G.
(Researcher)5
-
Thompson, Matthew W.
(Researcher)2
-
Wagner, Jeffrey
(Researcher)2
-
Wang, Lily
(Researcher)2
-
Chodera, John
(Supervisor)6
-
Cole, Daniel
(Supervisor)7
-
Grossfield, Alan
(Supervisor)8
-
Mobley, David
(Supervisor)3
-
Shirts, Michael
(Supervisor)4
-
Gilson, Michael K.
(Supervisor)1
-
1.
University of California, San Diego
-
2.
Open Molecular Software Foundation
-
3.
University of California, Irvine
-
4.
University of Colorado Boulder
-
5.
University of Pennsylvania
-
6.
Memorial Sloan Kettering Cancer Center
-
7.
Newcastle University
-
8.
University of Rochester Medical Center
Description
Summary of benchmarking results on protein structure for the Open Force Field 3.0.0 alpha force field. This is a recording of the Open Force Field Initiative Protein Force Field Meeting on October 16, 2025.
The force field "openff_no-water-3.0.0-alpha0.offxml" is called "Null-4-mer-AAQAA3" in this presentation and is colored orange throughout.
QM parameter fits made use of code from https://github.com/openforcefield/protein-param-fit. NMR parameter fits made use of code from https://github.com/openforcefield/protein-nmr-fit. Benchmarks of protein structure made use of code from https://github.com/openforcefield/proteinbenchmark.
Files
2025-10-16-biopolymer-ff-meeting.mp4
Files
(189.9 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:b5ebc0c137c52bcfa2689f86db6ae70b
|
188.8 MB | Preview Download |
|
md5:a1a591d9679aa3d8d67fe73fed3f2688
|
1.2 MB | Preview Download |
Additional details
Funding
- National Institutes of Health
- R01 GM132386