Open Force Field 3.0.0 Alpha Force Field Benchmarks

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.

Institutions

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-10-20
DOI
https://doi.org/10.5281/zenodo.17401377
Primary Topic
Protein Structure and Dynamics
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Open Force Field 3.0.0 Alpha Force Field Benchmarks

Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
article

Open Force Field 3.0.0 Alpha Force Field Benchmarks

article en

Abstract

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.

Zenodo (CERN European Organization for Nuclear Research)
Memorial Sloan Kettering Cancer Center (US), University of Colorado Boulder (US), University of California, Irvine (US), University of Colorado System (US), University of Rochester Medical Center (US), University of California San Diego (US), California University of Pennsylvania (US), Open Molecular Software Foundation, Newcastle University (GB)
Openalex Percentile: Top 44%
Protein Structure and Dynamics
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.