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    • docs

      Public
      Documentation hosting for metatensor
      HTML
      0000Updated Nov 14, 2024Nov 14, 2024
    • Self-describing sparse tensor data format for atomistic machine learning and beyond
      Python
      BSD 3-Clause "New" or "Revised" License
      1953675Updated Nov 14, 2024Nov 14, 2024
    • metatrain

      Public
      Training and evaluating machine learning models for atomistic systems.
      Python
      BSD 3-Clause "New" or "Revised" License
      518305Updated Nov 14, 2024Nov 14, 2024
    • lammps

      Public
      Metatensor-enabled version of LAMMPS
      C++
      GNU General Public License v2.0
      1.7k012Updated Oct 30, 2024Oct 30, 2024
    • lj-test

      Public
      Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration
      Python
      MIT No Attribution
      0000Updated Oct 28, 2024Oct 28, 2024
    • Conda recipe to build plumed & co
      Shell
      10000Updated Oct 22, 2024Oct 22, 2024
    • gromacs

      Public
      Metatensor-enabled GROMACS
      C++
      GNU Lesser General Public License v2.1
      331000Updated Oct 4, 2024Oct 4, 2024
    • A conda-smithy repository for metatensor.
      Batchfile
      BSD 3-Clause "New" or "Revised" License
      2000Updated Aug 29, 2024Aug 29, 2024
    • Regression tests for the plumed <=> metatensor interface
      Shell
      0000Updated Jul 2, 2024Jul 2, 2024
    • A conda-smithy repository for libmetatensor-torch.
      CMake
      BSD 3-Clause "New" or "Revised" License
      2000Updated May 21, 2024May 21, 2024
    • A conda-smithy repository for libmetatensor.
      Batchfile
      BSD 3-Clause "New" or "Revised" License
      2000Updated May 15, 2024May 15, 2024