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  1. CASTEP-ML-data CASTEP-ML-data Public

    Accompanying data for manuscript: "Machine-learned acceleration for molecular dynamics in CASTEP"

    Python 4 1

  2. libmace libmace Public

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  3. GAP GAP Public

    Forked from libAtoms/GAP

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  4. CASTEP-ML-demo2024 CASTEP-ML-demo2024 Public

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  5. nanoreactor nanoreactor Public

    Forked from leeping/nanoreactor

    Nanoreactor analysis codes (not yet released)

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  6. pkp-lego pkp-lego Public

    Forked from gabor1/pkp-lego

    documentation for PKP lego course

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