Name: MoSDeF - the Molecular Simulation Design Framework
Type: Organization
Bio: MoSDeF builds, atom types, and parametrizes arbitrary chemical systems for molecular simulation in an engine agnostic manner.
Blog: https://mosdef.org
MoSDeF - the Molecular Simulation Design Framework's Projects
Materials for the MoSDeF tutorial at the 2023 CECAM workshop
MISC Utilities for MoSDeF Forcefields conversion
foyer force field for perfluoroethers
A template repo for disseminating force fields with foyer
A package for atom-typing as well as applying and disseminating forcefields
A set of tutorials to introduce new users to Foyer
Flexible storage of chemical topology for molecular simulation
Demonstrating GMSO as a backend for preparing molecular simulation
Interactive demo/tutorial of current GMSO features and design decisions.
A hierarchical, component based molecule builder
mBuild examples
A set of tutorials to introduce new users to mBuild
metamds is currently read-only; see signac.io for a recommended data and workflow manager
Umbrella Website for MoSDeF
Interactive showcase of the MoSDeF framework features.
Sample molecular simulation workflows using a MoSDeF and community tools
Collection of tutorials and example workflows for MoSDeF workshop at FOMMS 2022
A variety of water and carbon slit-pore simulations
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)
NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching
Repo for data collection, discussion, etc for a MoSDeF reproducibility study.