Skip to content

@metatensor metatensor

Change the repository type filter

All

    Repositories list

    29 repositories

    • metatrain

      Public
      Train, fine-tune, and manipulate machine learning models for atomistic systems
      machine-learningmolecular-dynamicstorchatomistic-simulations
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •20•51•71•20•Updated Jan 9, 2026Jan 9, 2026

    • metatensor.github.io

      Public
      Documentation hosting for metatensor
      HTML
      •0•0•0•0•Updated Jan 9, 2026Jan 9, 2026

    • metatomic

      Public
      Atomistic machine learning models you can use everywhere for everything
      C
      •
      BSD 3-Clause "New" or "Revised" License
      •6•32•22•4•Updated Jan 9, 2026Jan 9, 2026

    • lammps-metatomic-feedstock

      Public
      conda-smithy feedstock for lammps-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated Jan 9, 2026Jan 9, 2026

    • metatensor

      Public
      Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •26•90•63•8•Updated Jan 9, 2026Jan 9, 2026

    • lammps

      Public
      Metatomic-enabled version of LAMMPS, based on version 10Sep2025
      C++
      •
      GNU General Public License v2.0
      •1.9k•3•3•0•Updated Jan 9, 2026Jan 9, 2026

    • dlpk

      Public
      Rust
      •
      Apache License 2.0
      •1•2•0•0•Updated Jan 8, 2026Jan 8, 2026

    • gromacs

      Public
      Metatomic staging branch for GROMACS
      C++
      •
      GNU Lesser General Public License v2.1
      •1•0•0•1•Updated Jan 7, 2026Jan 7, 2026

    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •18•74•36•4•Updated Jan 5, 2026Jan 5, 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

    • plumed-metatomic-feedstock

      Public
      conda-smithy feedstock for plumed-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•1•0•Updated Dec 3, 2025Dec 3, 2025

    • lj-test

      Public
      Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration
      Python
      •
      MIT No Attribution
      •0•0•0•0•Updated Nov 19, 2025Nov 19, 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

    • spack-packages

      Public
      Spack's community package recipes
      Python
      •
      Apache License 2.0
      •507•0•0•0•Updated Sep 26, 2025Sep 26, 2025

    • hpc-docs

      Public
      Documentation to use software from the metatensor ecosystem on various HPC clusters
      0•0•0•0•Updated Sep 11, 2025Sep 11, 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

    • .github

      Public
      0•0•0•0•Updated May 27, 2025May 27, 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

    • metatensor-feedstock

      Public
      A conda-smithy repository for metatensor.
      Batchfile
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Apr 24, 2025Apr 24, 2025