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    • metatrain

      Public
      Train, fine-tune, and manipulate machine learning models for atomistic systems
      Python
      BSD 3-Clause "New" or "Revised" License
      25677718Updated Apr 20, 2026Apr 20, 2026
    • Documentation hosting for metatensor
      HTML
      0000Updated Apr 20, 2026Apr 20, 2026
    • metatomic

      Public
      Atomistic machine learning models you can use everywhere for everything
      Python
      BSD 3-Clause "New" or "Revised" License
      738227Updated Apr 20, 2026Apr 20, 2026
    • metatensor

      Public
      Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      BSD 3-Clause "New" or "Revised" License
      2598555Updated Apr 20, 2026Apr 20, 2026
    • lammps

      Public
      Metatomic-enabled version of LAMMPS, based on version 11Feb2026
      C++
      GNU General Public License v2.0
      2k643Updated Apr 20, 2026Apr 20, 2026
    • openmm-ml

      Public
      Development version of the metatomic interface to OpenMM-ML
      Python
      Other
      43000Updated Apr 16, 2026Apr 16, 2026
    • dlpk

      Public
      Rust
      Apache License 2.0
      1212Updated Apr 9, 2026Apr 9, 2026
    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      BSD 3-Clause "New" or "Revised" License
      1880387Updated Apr 2, 2026Apr 2, 2026
    • lj-test

      Public
      Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration
      Python
      MIT No Attribution
      2110Updated Apr 2, 2026Apr 2, 2026
    • gromacs

      Public
      Metatomic staging branch for GROMACS
      C++
      GNU Lesser General Public License v2.1
      1002Updated Mar 24, 2026Mar 24, 2026
    • Metatensor-enabled GROMACS
      Shell
      BSD 3-Clause "New" or "Revised" License
      1100Updated Mar 18, 2026Mar 18, 2026
    • conda-smithy feedstock for plumed-metatomic
      Shell
      BSD 3-Clause "New" or "Revised" License
      2010Updated Mar 5, 2026Mar 5, 2026
    • hpc-docs

      Public
      Documentation to use software from the metatensor ecosystem on various HPC clusters
      Python
      0000Updated Mar 2, 2026Mar 2, 2026
    • conda-smithy feedstock for lammps-metatomic
      Shell
      BSD 3-Clause "New" or "Revised" License
      5000Updated Mar 2, 2026Mar 2, 2026
    • Spack's community package recipes
      Python
      Apache License 2.0
      608000Updated Feb 25, 2026Feb 25, 2026
    • .github

      Public
      0000Updated Jan 28, 2026Jan 28, 2026
    • Python
      MIT License
      1200Updated Dec 27, 2025Dec 27, 2025
    • BSD 3-Clause "New" or "Revised" License
      2000Updated Dec 15, 2025Dec 15, 2025
    • A conda-smithy repository for libmetatensor.
      Batchfile
      BSD 3-Clause "New" or "Revised" License
      4000Updated Dec 12, 2025Dec 12, 2025
    • Landing page for the metatensor organization
      HTML
      0000Updated Dec 12, 2025Dec 12, 2025
    • A conda-smithy repository for python-metatensor-core.
      BSD 3-Clause "New" or "Revised" License
      4000Updated Dec 12, 2025Dec 12, 2025
    • A conda-smithy repository for metatrain.
      BSD 3-Clause "New" or "Revised" License
      3000Updated Dec 12, 2025Dec 12, 2025
    • conda-smithy feedstock for py-plumed-metatomic
      Shell
      BSD 3-Clause "New" or "Revised" License
      2000Updated Dec 3, 2025Dec 3, 2025
    • A conda-smithy repository for libmetatomic-torch.
      CMake
      BSD 3-Clause "New" or "Revised" License
      2000Updated Oct 2, 2025Oct 2, 2025
    • ASV Benchmarks for the ecosystem
      Python
      MIT License
      0000Updated Sep 11, 2025Sep 11, 2025
    • A conda-smithy repository for python-metatomic-torch.
      BSD 3-Clause "New" or "Revised" License
      2000Updated Jul 11, 2025Jul 11, 2025
    • A conda-smithy repository for python-metatensor-torch.
      BSD 3-Clause "New" or "Revised" License
      4000Updated Jul 8, 2025Jul 8, 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
    • A conda-smithy repository for libmetatensor-torch.
      CMake
      BSD 3-Clause "New" or "Revised" License
      3000Updated Jun 16, 2025Jun 16, 2025
    • A conda-smithy repository for python-metatensor-learn.
      BSD 3-Clause "New" or "Revised" License
      3000Updated May 9, 2025May 9, 2025
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