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    7 repositories

    • lammps

      Public
      Public development project of the LAMMPS MD software package
      C++
      •
      GNU General Public License v2.0
      •1.7k•0•0•2•Updated Dec 20, 2024Dec 20, 2024

    • mala

      Public
      Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
      machine-learningdftneural-networkdensity-functional-theoryelectronic-structure
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •26•82•32•4•Updated Dec 13, 2024Dec 13, 2024

    • test-data

      Public
      Test data for MALA.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•1•3•0•Updated Nov 15, 2024Nov 15, 2024

    • malada

      Public
      MALA Data Acquisition: Helpful tools to build data for MALA.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •2•1•17•1•Updated Oct 24, 2024Oct 24, 2024

    • malaWeb

      Public
      Web app to visualize on-the-fly MALA predictions.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•2•7•1•Updated Jul 15, 2024Jul 15, 2024

    • mala_tutorial

      Public
      A full MALA hands-on tutorial.
      Jupyter Notebook
      •0•2•0•0•Updated Nov 28, 2023Nov 28, 2023

    • mcmala

      Public
      Monte-Carlo frontend for MALA.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•3•0•Updated May 16, 2023May 16, 2023