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    14 repositories

    • metatrain

      Public
      Training and evaluating machine learning models for atomistic systems.
      machine-learningmolecular-dynamicstorchatomistic-simulations
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •8•23•36•8•Updated Feb 19, 2025Feb 19, 2025

    • metatensor

      Public
      Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •20•59•73•9•Updated Feb 19, 2025Feb 19, 2025

    • docs

      Public
      Documentation hosting for metatensor
      HTML
      •0•0•0•0•Updated Feb 19, 2025Feb 19, 2025

    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •15•65•35•7•Updated Feb 18, 2025Feb 18, 2025

    • lammps

      Public
      Metatensor-enabled version of LAMMPS, based on version 4Feb2025
      C++
      •
      GNU General Public License v2.0
      •1.8k•0•3•1•Updated Feb 6, 2025Feb 6, 2025

    • libmetatensor-torch-feedstock

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

    • lammps-metatensor-feedstock

      Public
      0•0•0•0•Updated Jan 31, 2025Jan 31, 2025

    • metatomic

      Public
      Atomistic machine learning models you can use everywhere for everything
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•1•1•1•Updated Jan 24, 2025Jan 24, 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•1•Updated Jan 24, 2025Jan 24, 2025

    • plumed-conda

      Public
      Conda recipe to build plumed & co
      Shell
      •10•0•0•0•Updated Dec 10, 2024Dec 10, 2024

    • gromacs

      Public
      Metatensor-enabled GROMACS
      C++
      •
      GNU Lesser General Public License v2.1
      •342•0•0•0•Updated Oct 4, 2024Oct 4, 2024

    • metatensor-feedstock

      Public
      A conda-smithy repository for metatensor.
      Batchfile
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Aug 29, 2024Aug 29, 2024

    • plumed-metatensor-tests

      Public
      Regression tests for the plumed <=> metatensor interface
      Shell
      •0•0•0•0•Updated Jul 2, 2024Jul 2, 2024

    • libmetatensor-feedstock

      Public
      A conda-smithy repository for libmetatensor.
      Batchfile
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated May 15, 2024May 15, 2024