MoSDeF presents a set of extensible Python tools designed to facilitate the
initialization, atom-typing, and screening of soft matter systems using molecular dynamics simulations.
A hierarchical, component based molecule builder
A package for atom-typing as well as applying and disseminating forcefields
A template repo for disseminating force fields with foyer
NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
A set of tutorials to introduce new users to mBuild
A set of tutorials to introduce new users to Foyer
Having issues with any of the packages or want to contribute to the project? Join us on
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We are constantly grinding for new releases. Please check the latest news page for the
Contributions are welcome! Just fork any of the projects and submit some PR's or
develop your own custom extensions.