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    12 repositories

    • metatensor

      Public
      Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •19•54•66•7•Updated Dec 2, 2024Dec 2, 2024

    • metatrain

      Public
      Training and evaluating machine learning models for atomistic systems.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •6•18•29•9•Updated Dec 2, 2024Dec 2, 2024

    • docs

      Public
      Documentation hosting for metatensor
      HTML
      •0•0•0•0•Updated Nov 29, 2024Nov 29, 2024

    • featomic

      Public
      Computing representations for atomistic machine learning
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •14•48•32•9•Updated Nov 28, 2024Nov 28, 2024

    • lammps

      Public
      Metatensor-enabled version of LAMMPS
      C++
      •
      GNU General Public License v2.0
      •1.7k•0•3•1•Updated Nov 20, 2024Nov 20, 2024

    • 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 Oct 28, 2024Oct 28, 2024

    • plumed-conda

      Public
      Conda recipe to build plumed & co
      Shell
      •10•0•0•0•Updated Oct 22, 2024Oct 22, 2024

    • gromacs

      Public
      Metatensor-enabled GROMACS
      C++
      •
      GNU Lesser General Public License v2.1
      •333•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-torch-feedstock

      Public
      A conda-smithy repository for libmetatensor-torch.
      CMake
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated May 21, 2024May 21, 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