The Open Force Field Initiative makes a number of resources available to the community, including open source software, high-quality curated open datasets, and force fields.
- open-forcefield-data: Curated datasets from the NIST ThermoML database to be used for force field parameterization.
- MiniDrugBank: A repository to track the creation and evolution of the MiniDrugBank Molecule set, filtered from DrugBank Release Version 5.0.1.
- Initial torsion dataset: A set of 486 small and chemically diverse molecules selected and provided by Roche used for initial torsion scanning and parameterization (see here for more information). This dataset contains: