Plugin Catalog

Plugins provide scientific workflows while reusing the shared CADDForge runtime.

The central plugin pages summarize the available tools and their main inputs, outputs, and external requirements. The existing plugin README.md files remain in place for now and can continue to hold package-local details until the central docs fully replace them.

See the plugin version matrix for the exact plugin revisions described by these pages.

Available plugin packages

Plugin	Tools
Docking	unidock, idockya, gnina
Descriptors	ani-psa, phesa, ani-conformers, cluster-molecules
MD	fix-structure, center-and-align, extract-frames, cluster-representative, plain-md, minimize, openbpmd, grand, inducia
FEP	openfe-abfe, openfe-rbfe-septop
QM	transfer-free-energy
ML	simple-gp, pca, model-zoo, model-factory, explore-classifier
Data Science	CSV scatter, distribution diagnostics