Skip to content
Change the repository type filter

All

    Repositories list

    • metatrain

      Public
      Training and evaluating machine learning models for atomistic systems.
      Python
      BSD 3-Clause "New" or "Revised" License
      11336312Updated Jul 9, 2025Jul 9, 2025
    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      BSD 3-Clause "New" or "Revised" License
      1672366Updated Jul 9, 2025Jul 9, 2025
    • A conda-smithy repository for python-metatomic-torch.
      BSD 3-Clause "New" or "Revised" License
      2000Updated Jul 9, 2025Jul 9, 2025
    • lammps

      Public
      Metatomic-enabled version of LAMMPS, based on version 12Jun2025
      C++
      GNU General Public License v2.0
      1.8k121Updated Jul 9, 2025Jul 9, 2025
    • A conda-smithy repository for metatrain.
      BSD 3-Clause "New" or "Revised" License
      3000Updated Jul 9, 2025Jul 9, 2025
    • docs

      Public
      Documentation hosting for metatensor
      HTML
      0000Updated Jul 9, 2025Jul 9, 2025
    • metatomic

      Public
      Atomistic machine learning models you can use everywhere for everything
      Python
      BSD 3-Clause "New" or "Revised" License
      315150Updated Jul 9, 2025Jul 9, 2025
    • A conda-smithy repository for libmetatomic-torch.
      CMake
      BSD 3-Clause "New" or "Revised" License
      2000Updated Jul 8, 2025Jul 8, 2025
    • A conda-smithy repository for python-metatensor-torch.
      BSD 3-Clause "New" or "Revised" License
      4000Updated Jul 8, 2025Jul 8, 2025
    • Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      BSD 3-Clause "New" or "Revised" License
      2477579Updated Jul 7, 2025Jul 7, 2025
    • Workshop-spring-2025

      Public archive
      A collection of interactive tutorials supporting the spring 2025 metatomic workshop
      Jupyter Notebook
      MIT License
      0300Updated Jun 23, 2025Jun 23, 2025
    • conda-smithy feedstock for lammps-metatomic
      Shell
      BSD 3-Clause "New" or "Revised" License
      3000Updated Jun 20, 2025Jun 20, 2025
    • conda-smithy feedstock for py-plumed-metatomic
      Shell
      BSD 3-Clause "New" or "Revised" License
      1000Updated Jun 19, 2025Jun 19, 2025
    • conda-smithy feedstock for plumed-metatomic
      Shell
      BSD 3-Clause "New" or "Revised" License
      1000Updated Jun 19, 2025Jun 19, 2025
    • conda-smithy feedstock for python-metatomic-torch
      BSD 3-Clause "New" or "Revised" License
      0000Updated Jun 19, 2025Jun 19, 2025
    • conda-smithy feedstock for libmetatomic-torch
      CMake
      BSD 3-Clause "New" or "Revised" License
      0000Updated Jun 18, 2025Jun 18, 2025
    • A conda-smithy repository for libmetatensor-torch.
      CMake
      BSD 3-Clause "New" or "Revised" License
      3000Updated Jun 16, 2025Jun 16, 2025
    • conda-smithy feedstock for metatrain
      BSD 3-Clause "New" or "Revised" License
      0000Updated Jun 12, 2025Jun 12, 2025
    • BSD 3-Clause "New" or "Revised" License
      2000Updated Jun 2, 2025Jun 2, 2025
    • .github

      Public
      0000Updated May 27, 2025May 27, 2025
    • lj-test

      Public
      Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration
      Python
      MIT No Attribution
      0000Updated May 26, 2025May 26, 2025
    • Shell
      BSD 3-Clause "New" or "Revised" License
      3001Updated May 23, 2025May 23, 2025
    • A conda-smithy repository for metatensor.
      Batchfile
      BSD 3-Clause "New" or "Revised" License
      3000Updated Apr 24, 2025Apr 24, 2025
    • Regression tests for the plumed <=> metatensor interface
      Shell
      0100Updated Apr 16, 2025Apr 16, 2025
    • Conda recipe to build plumed & co
      Shell
      10000Updated Apr 16, 2025Apr 16, 2025
    • A conda-smithy repository for python-metatensor-core.
      BSD 3-Clause "New" or "Revised" License
      4000Updated Apr 14, 2025Apr 14, 2025
    • A conda-smithy repository for libmetatensor.
      Batchfile
      BSD 3-Clause "New" or "Revised" License
      4000Updated Apr 14, 2025Apr 14, 2025
    • gromacs

      Public
      Metatensor-enabled GROMACS
      C++
      GNU Lesser General Public License v2.1
      354000Updated Oct 4, 2024Oct 4, 2024