MoSDeF presents a set of extensible Python tools designed to facilitate the
initialization, atom-typing, and screening of soft matter systems using molecular dynamics
A hierarchical, component based molecule builder
A package for atom-typing as well as applying and disseminating forcefields
Flexible storage of chemical topology for molecular simulation
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
A set of tutorials to introduce new users to mBuild
A set of tutorials to introduce new users to Foyer
MoSDeF is supported by the National Science
Foundation under Grant No. 18358741, 1047828 and 1535150.
Having issues with any of the packages or want to contribute to the project? Join us on gitter.
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We are constantly making new releases. Please check here for release announcements.
Contributions are welcome! Just fork any of the projects and submit some pull requests or develop your own custom extensions.