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@softmaterialslab Soft Matters at the Nanoscale

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    14 repositories

    • jadhaolab-website

      Public
      Jadhao Lab Website
      CSS
      •
      Apache License 2.0
      •0•0•0•0•Updated Oct 22, 2024Oct 22, 2024

    • np-assembly-lab

      Public
      Simulates assembly of nanoparticles and oppositely-charged linkers under different physiological conditions. Outputs are structural information such as pair distribution functions.
      Jupyter Notebook
      •11•0•2•7•Updated Aug 28, 2024Aug 28, 2024

    • mlflow

      Public
      Jupyter Notebook
      •2•1•0•0•Updated Apr 1, 2024Apr 1, 2024

    • nanoconfinement-md

      Public
      This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
      ionselectrostaticsself-assemblyseparationenergy
      Jupyter Notebook
      •
      Apache License 2.0
      •14•8•9•8•Updated Nov 11, 2023Nov 11, 2023

    • energyINsights

      Public
      Jupyter Notebook
      •0•0•0•0•Updated May 1, 2023May 1, 2023

    • nanobind

      Public
      polyvalent nanoparticle binding simulator
      Jupyter Notebook
      •5•1•0•7•Updated Apr 12, 2023Apr 12, 2023

    • bnsl

      Public
      Simualtes the assembly of binary nanoparticle superlattices (BNSL)
      C++
      •5•0•0•7•Updated Apr 12, 2023Apr 12, 2023

    • capsid-souffle

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •4•0•1•0•Updated Jun 23, 2022Jun 23, 2022

    • np-shape-lab

      Public
      The shape of nanoparticles determines their ability to interact with biological systems in nanomedicine applications. This framework simulates the shape deformation of deformable patchy nanoparticles for a broad variety of nanoparticle material properties and solution conditions. Molecular dynamics based simulated annealing is used to minimize t…
      simulation-framework
      Mathematica
      •
      BSD 3-Clause "New" or "Revised" License
      •8•2•6•1•Updated Sep 24, 2021Sep 24, 2021

    • autoparasweep

      Public
      Python
      •
      Apache License 2.0
      •1•1•0•0•Updated Mar 17, 2021Mar 17, 2021

    • RNN-MD

      Public
      Code for our paper "Simulating Molecular Dynamics with Large Timesteps using Recurrent Neural Networks"
      Jupyter Notebook
      •
      Apache License 2.0
      •5•13•2•0•Updated Jun 12, 2020Jun 12, 2020

    • np-electrostatics-lab

      Public
      This code computes the density distribution of ions near a spherical nanoparticle in biological environments
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •3•2•2•0•Updated Jan 24, 2020Jan 24, 2020

    • data4ML

      Public
      contains datasets for training and testing ML models
      1•0•0•0•Updated Jan 22, 2020Jan 22, 2020

    • nanoconfinement-cpmd

      Public
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jan 10, 2020Jan 10, 2020