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M-Stack

Modelling of Materials and Molecules with Machine Learning

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  1. metatensor metatensor Public

    Forked from metatensor/metatensor

    Storage format for equivariant atomistic machine learning

    Python 1 1

  2. Q-stack Q-stack Public

    Forked from lcmd-epfl/Q-stack

    Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

    Python 1 1

  3. featomic featomic Public

    Forked from metatensor/featomic

    Computing representations for atomistic machine learning

    Rust 1 1

  4. cell2mol cell2mol Public

    Forked from lcmd-epfl/cell2mol

    Python 1 1

  5. chemiscope chemiscope Public

    Forked from lab-cosmo/chemiscope

    An interactive structure/property explorer for materials and molecules

    TypeScript 1 1

  6. rholearn rholearn Public

    Forked from lab-cosmo/rholearn

    Learning and predicting electronic densities decomposed on a basis and global electronic densities of states at DFT accuracy

    Python 1 1

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