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    31 repositories

    • metatrain

      Public
      Train, fine-tune, and manipulate machine learning models for atomistic systems
      machine-learningmolecular-dynamicstorch
      machine-learningmolecular-dynamicstorchatomistic-simulations
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •25•67•77•18•Updated Apr 20, 2026Apr 20, 2026

    • metatensor.github.io

      Public
      Documentation hosting for metatensor
      HTML
      •0•0•0•0•Updated 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
      •7•38•22•7•Updated 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
      •25•98•55•5•Updated Apr 20, 2026Apr 20, 2026

    • lammps

      Public
      Metatomic-enabled version of LAMMPS, based on version 11Feb2026
      C++
      •
      GNU General Public License v2.0
      •2k•6•4•3•Updated Apr 20, 2026Apr 20, 2026

    • openmm-ml

      Public
      Development version of the metatomic interface to OpenMM-ML
      Python
      •
      Other
      •43•0•0•0•Updated Apr 16, 2026Apr 16, 2026

    • dlpk

      Public
      Rust
      •
      Apache License 2.0
      •1•2•1•2•Updated Apr 9, 2026Apr 9, 2026

    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •18•80•38•7•Updated 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
      •2•1•1•0•Updated Apr 2, 2026Apr 2, 2026

    • gromacs

      Public
      Metatomic staging branch for GROMACS
      C++
      •
      GNU Lesser General Public License v2.1
      •1•0•0•2•Updated Mar 24, 2026Mar 24, 2026

    • gromacs-metatomic-feedstock

      Public
      Metatensor-enabled GROMACS
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •1•1•0•0•Updated Mar 18, 2026Mar 18, 2026

    • plumed-metatomic-feedstock

      Public
      conda-smithy feedstock for plumed-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•1•0•Updated Mar 5, 2026Mar 5, 2026

    • hpc-docs

      Public
      Documentation to use software from the metatensor ecosystem on various HPC clusters
      Python
      •0•0•0•0•Updated Mar 2, 2026Mar 2, 2026

    • lammps-metatomic-feedstock

      Public
      conda-smithy feedstock for lammps-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •5•0•0•0•Updated Mar 2, 2026Mar 2, 2026

    • spack-packages

      Public
      Spack's community package recipes
      Python
      •
      Apache License 2.0
      •608•0•0•0•Updated Feb 25, 2026Feb 25, 2026

    • .github

      Public
      0•0•0•0•Updated Jan 28, 2026Jan 28, 2026

    • ecosystem-article

      Public
      Python
      •
      MIT License
      •1•2•0•0•Updated Dec 27, 2025Dec 27, 2025

    • pet-mad-feedstock

      Public
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Dec 15, 2025Dec 15, 2025

    • libmetatensor-feedstock

      Public
      A conda-smithy repository for libmetatensor.
      Batchfile
      •
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated Dec 12, 2025Dec 12, 2025

    • landing-page

      Public
      Landing page for the metatensor organization
      HTML
      •0•0•0•0•Updated Dec 12, 2025Dec 12, 2025

    • python-metatensor-core-feedstock

      Public
      A conda-smithy repository for python-metatensor-core.
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated Dec 12, 2025Dec 12, 2025

    • metatrain-feedstock

      Public
      A conda-smithy repository for metatrain.
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Dec 12, 2025Dec 12, 2025

    • py-plumed-metatomic-feedstock

      Public
      conda-smithy feedstock for py-plumed-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Dec 3, 2025Dec 3, 2025

    • libmetatomic-torch-feedstock

      Public
      A conda-smithy repository for libmetatomic-torch.
      CMake
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Oct 2, 2025Oct 2, 2025

    • metatensor_metatomic_benchmarks

      Public
      ASV Benchmarks for the ecosystem
      Python
      •
      MIT License
      •0•0•0•0•Updated Sep 11, 2025Sep 11, 2025

    • python-metatomic-torch-feedstock

      Public
      A conda-smithy repository for python-metatomic-torch.
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Jul 11, 2025Jul 11, 2025

    • python-metatensor-torch-feedstock

      Public
      A conda-smithy repository for python-metatensor-torch.
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated 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
      •0•3•0•0•Updated Jun 23, 2025Jun 23, 2025

    • libmetatensor-torch-feedstock

      Public
      A conda-smithy repository for libmetatensor-torch.
      CMake
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Jun 16, 2025Jun 16, 2025

    • python-metatensor-learn-feedstock

      Public
      A conda-smithy repository for python-metatensor-learn.
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated May 9, 2025May 9, 2025
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