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cesmix-mit

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  1. LAMMPS.jl LAMMPS.jl Public

    Julia 39 12

  2. InteratomicPotentials.jl InteratomicPotentials.jl Public

    Contains methods and types for a variety of interatomic potentials.

    Julia 29 6

  3. PotentialLearning.jl PotentialLearning.jl Public

    PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamics workflows.

    Julia 20 10

  4. PotentialUQ.jl PotentialUQ.jl Public

    Perform UQ for learned potentials

    5 1

  5. MDP MDP Public

    C++ 2

  6. AtomisticComposableWorkflows AtomisticComposableWorkflows Public

    Provide easy-to-use CESMIX-aligned case studies. Integrate the latest developments of the Julia atomistic ecosystem and state-of-the-art tools.

    JetBrains MPS 7

Repositories

Showing 10 of 30 repositories
  • LAMMPS.jl Public
    cesmix-mit/LAMMPS.jl’s past year of commit activity
    Julia 39 MIT 12 5 3 Updated Oct 12, 2025
  • InteratomicPotentials.jl Public

    Contains methods and types for a variety of interatomic potentials.

    cesmix-mit/InteratomicPotentials.jl’s past year of commit activity
    Julia 29 MIT 6 7 2 Updated May 5, 2025
  • CESMIX Public
    cesmix-mit/CESMIX’s past year of commit activity
    0 MIT 0 0 0 Updated May 5, 2025
  • AtomisticQoIs.jl Public

    Methods for computing expectation-valued quantities of interest (QoIs) from molecular dynamics simulation.

    cesmix-mit/AtomisticQoIs.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Apr 8, 2025
  • PODPotential.jl Public

    A Julia port of the POD Interatomic Potential

    cesmix-mit/PODPotential.jl’s past year of commit activity
    Julia 4 MIT 0 0 0 Updated Apr 4, 2025
  • Cairn.jl Public

    Enhanced sampling algorithms for the active learning of machine learning interatomic potentials (ML-IPs), implemented in Julia.

    cesmix-mit/Cairn.jl’s past year of commit activity
    Julia 10 MIT 1 0 0 Updated Jan 31, 2025
  • lammps Public Forked from lammps/lammps

    Public development project of the LAMMPS MD software package

    cesmix-mit/lammps’s past year of commit activity
    C++ 0 GPL-2.0 1,901 0 1 Updated Jan 29, 2025
  • PotentialLearning.jl Public

    PotentialLearning.jl: Optimize your atomistic data and interatomic potential models in your molecular dynamics workflows.

    cesmix-mit/PotentialLearning.jl’s past year of commit activity
    Julia 20 MIT 10 0 1 Updated Nov 21, 2024
  • Atomistic.jl Public

    Package that provides a integrated Julia workflow for molecular dyanmics simulations.

    cesmix-mit/Atomistic.jl’s past year of commit activity
    Julia 17 MIT 4 1 1 Updated Mar 22, 2024
  • pod-examples Public

    POD fitting and MD examples to supplement the LAMMPS implementation

    cesmix-mit/pod-examples’s past year of commit activity
    Shell 2 0 0 0 Updated Nov 6, 2023
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