The following software repositories are developed in Open Force Field Consortium research groups. Projects closer to “production-ready” status in the Consortium’s force field optimization are nearer to the top of the page, while those that are more exploratory are near the bottom.

Active in force field optimization

NameTravisCodeCovDocumentationLGTM
ForceBalanceBuild Statuscodecov.iodoxygenLanguage grade: Python
GeomeTRICBuild Statuscodecov.ioGH ReadmeLanguage grade: Python
Open Force Field ToolkitBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
PaprikaBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
OpenFF EvaluatorGHA Statuscodecov.ioDocumentation StatusLanguage grade: Python
QCFractalBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
smirnoff99FrosstBuild Statuscodecov.ioREADMELanguage grade: Python
TorsionDriveBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python

Potential additions to force field optimization or bespoke workflow

NameTravisCodeCovDocumentationLGTM
CMILESBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
FragmenterBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python

Supporting, long-term, and exploratory software

NameTravisCodeCovDocumentationLGTM
ChemperBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
OFF_NitrogensBuild Statuscodecov.ioNoLanguage grade: Python
QuanformerBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
RESPPOLBuild Statuscodecov.ioDocumentation StatusLanguage grade: Python
RespyteBuild Statuscodecov.ioGH ReadmeLanguage grade: Python