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    30 repositories

    • metatomic

      Public
      Atomistic machine learning models you can use everywhere for everything
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •4•22•18•2•Updated Sep 17, 2025Sep 17, 2025

    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •15•73•35•4•Updated Sep 17, 2025Sep 17, 2025

    • metatrain

      Public
      Training and evaluating machine learning models for atomistic systems.
      machine-learningmolecular-dynamicstorchatomistic-simulations
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •12•43•63•15•Updated Sep 17, 2025Sep 17, 2025

    • gromacs

      Public
      Metatomic staging branch for GROMACS
      C++
      •
      GNU Lesser General Public License v2.1
      •1•0•0•1•Updated Sep 16, 2025Sep 16, 2025

    • lammps

      Public
      Metatomic-enabled version of LAMMPS, based on version 10Sep2025
      C++
      •
      GNU General Public License v2.0
      •1.9k•3•3•1•Updated Sep 16, 2025Sep 16, 2025

    • docs

      Public
      Documentation hosting for metatensor
      HTML
      •0•0•0•0•Updated Sep 16, 2025Sep 16, 2025

    • metatensor

      Public
      Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •24•83•62•7•Updated Sep 16, 2025Sep 16, 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 Sep 12, 2025Sep 12, 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

    • dlpack

      Public
      Rust
      •1•1•1•0•Updated Sep 8, 2025Sep 8, 2025

    • metatensor_ecosystem_paper

      Public
      Details to reproduce figures and results from the metatensor-ecosystem publication
      Python
      •
      MIT License
      •1•2•0•0•Updated Sep 8, 2025Sep 8, 2025

    • pet-mad-feedstock

      Public
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Aug 24, 2025Aug 24, 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 Aug 23, 2025Aug 23, 2025

    • libmetatensor-feedstock

      Public
      A conda-smithy repository for libmetatensor.
      Batchfile
      •
      BSD 3-Clause "New" or "Revised" License
      •4•0•0•0•Updated Aug 22, 2025Aug 22, 2025

    • plumed-metatomic-feedstock

      Public
      conda-smithy feedstock for plumed-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •1•0•0•0•Updated Jul 28, 2025Jul 28, 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

    • lammps-metatomic-feedstock

      Public
      conda-smithy feedstock for lammps-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Jul 10, 2025Jul 10, 2025

    • metatrain-feedstock

      Public
      A conda-smithy repository for metatrain.
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Jul 9, 2025Jul 9, 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 Jul 8, 2025Jul 8, 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

    • py-plumed-metatomic-feedstock

      Public
      conda-smithy feedstock for py-plumed-metatomic
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •1•0•0•0•Updated Jun 19, 2025Jun 19, 2025

    • python-metatomic-torch-feedstock-archive

      Public archive
      conda-smithy feedstock for python-metatomic-torch
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 19, 2025Jun 19, 2025

    • libmetatomic-torch-feedstock-archive

      Public archive
      conda-smithy feedstock for libmetatomic-torch
      CMake
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 18, 2025Jun 18, 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

    • metatrain-feedstock-archive

      Public archive
      conda-smithy feedstock for metatrain
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 12, 2025Jun 12, 2025

    • .github

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

    • plumed-metatensor-tests

      Public
      Regression tests for the plumed <=> metatensor interface
      Shell
      •0•1•0•0•Updated Apr 16, 2025Apr 16, 2025