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cesmix-mit

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  1. LAMMPS.jl LAMMPS.jl Public

    Julia 34 10

  2. InteratomicPotentials.jl InteratomicPotentials.jl Public

    Contains methods and types for a variety interatomic potentials.

    Julia 27 6

  3. PotentialLearning.jl PotentialLearning.jl Public

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

    Julia 21 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 29 repositories
  • PotentialLearning.jl Public

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

    cesmix-mit/PotentialLearning.jl’s past year of commit activity
    Julia 21 MIT 10 0 1 Updated Nov 14, 2024
  • LAMMPS.jl Public
    cesmix-mit/LAMMPS.jl’s past year of commit activity
    Julia 34 MIT 10 7 (1 issue needs help) 5 Updated Nov 7, 2024
  • 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 1,731 0 1 Updated Oct 30, 2024
  • 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 9 MIT 1 0 0 Updated Sep 25, 2024
  • CESMIX Public
    cesmix-mit/CESMIX’s past year of commit activity
    0 MIT 0 0 0 Updated Sep 10, 2024
  • 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 Aug 5, 2024
  • InteratomicPotentials.jl Public

    Contains methods and types for a variety interatomic potentials.

    cesmix-mit/InteratomicPotentials.jl’s past year of commit activity
    Julia 27 MIT 6 7 2 Updated Jun 4, 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 16 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
  • julia Public Forked from JuliaLang/julia

    The Julia Programming Language

    cesmix-mit/julia’s past year of commit activity
    Julia 0 MIT 5,666 0 3 Updated Oct 30, 2023
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