Computational Hybrid Soft Materials Laboratory

Software for Research Community

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• Bottom-up coarse-grained model development for aromatic peptides
  • [Paper] [Data] [Code]

• Bottom-up coarse-grained model development for peptoids
  • [Paper] [Data] [Code]

• Dendronized Vesicles: A toolkit to automate the construction and analysis of vesicles
  • [Paper] [Data] [Code]

• PACE²: Pipeline for Automating Compliance-based Elimination and Extension
  • [Paper] [Code]

• Octahedra-Nanoparticle Project: Order Parameter Characterization Tools and Simulation Files
  • [Paper] [Code]

• Bottom-up Coarse-graining: A hybrid model for structure, solvation and assembly of lipid-like peptides
  • [Paper] [Data] [Code]

• Molecular Dynamics- Lattice Boltzmann: a hybrid particle dynamics and discreet fluid technique which captures the dynamic coupling between the fluid lattice and the particle dynamics.
  • [Paper] [Code]

• RepEx: a replica exchange framework designed for extensibility to new kinds of exchange methods and performance at scale.
  • [Code]

• Analysis Codes.
  • Amphiphilic Macromolecules in DSPC membranes [Paper] [Code]

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