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@metatensor

metatensor

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  1. metatensor metatensor Public

    Self-describing sparse tensor data format for atomistic machine learning and beyond

    Python 57 19

  2. metatrain metatrain Public

    Training and evaluating machine learning models for atomistic systems.

    Python 22 7

  3. featomic featomic Public

    Computing representations for atomistic machine learning

    Rust 64 14

Repositories

Showing 10 of 12 repositories
  • metatrain Public

    Training and evaluating machine learning models for atomistic systems.

    metatensor/metatrain’s past year of commit activity
    Python 22 BSD-3-Clause 7 31 (2 issues need help) 7 Updated Jan 15, 2025
  • metatensor Public

    Self-describing sparse tensor data format for atomistic machine learning and beyond

    metatensor/metatensor’s past year of commit activity
    Python 57 BSD-3-Clause 19 66 (3 issues need help) 5 Updated Jan 12, 2025
  • docs Public

    Documentation hosting for metatensor

    metatensor/docs’s past year of commit activity
    HTML 0 0 0 0 Updated Jan 9, 2025
  • featomic Public

    Computing representations for atomistic machine learning

    metatensor/featomic’s past year of commit activity
    Rust 64 BSD-3-Clause 14 33 (2 issues need help) 6 Updated Jan 9, 2025
  • plumed-conda Public Forked from plumed/conda

    Conda recipe to build plumed & co

    metatensor/plumed-conda’s past year of commit activity
    Shell 0 10 0 0 Updated Dec 10, 2024
  • lammps Public Forked from lammps/lammps

    Metatensor-enabled version of LAMMPS

    metatensor/lammps’s past year of commit activity
    C++ 0 GPL-2.0 1,765 3 1 Updated Dec 10, 2024
  • lj-test Public

    Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration

    metatensor/lj-test’s past year of commit activity
    Python 0 MIT-0 0 0 0 Updated Oct 28, 2024
  • gromacs Public Forked from gromacs/gromacs

    Metatensor-enabled GROMACS

    metatensor/gromacs’s past year of commit activity
    C++ 0 LGPL-2.1 339 0 0 Updated Oct 4, 2024
  • metatensor-feedstock Public Forked from conda-forge/metatensor-feedstock

    A conda-smithy repository for metatensor.

    metatensor/metatensor-feedstock’s past year of commit activity
    Batchfile 0 BSD-3-Clause 2 0 0 Updated Aug 29, 2024
  • plumed-metatensor-tests Public

    Regression tests for the plumed <=> metatensor interface

    metatensor/plumed-metatensor-tests’s past year of commit activity
    Shell 0 0 0 0 Updated Jul 2, 2024
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