Published August 7, 2023 | Version v1
Presentation Open

Open Force Field: next-generation force fields with open data, open software, and open science

Authors/Creators

  • 1. Open Force Field.

Description

The Open Force Field (OpenFF) initiative was formed to produce open and extensible infrastructure to build a new generation of MD force fields. We have now developed many software packages for constructing, applying, and benchmarking force fields. We have also generated several high-quality quantum chemistry datasets. Everything is available freely on GitHub, Zenodo, and the MolSSI QCArchive server. This work has been successfully used to investigate potential improvements to force fields, as well as simplify many previously difficult aspects of preparing MD systems.

Files

2023_07_12_wagner_SciPy.pdf

Files (6.8 MB)

Name Size Download all
md5:17aaf89cb0f53152484b03cb5c5194e8
6.8 MB Preview Download