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Achievement: YOLOAchievement: Pull Shark

Achievements

Achievement: YOLOAchievement: Pull Shark

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  1. ezSCUP ezSCUP Public

    SCALE-UP Python-based wrapper designed to facilitate the batch execution of material simulations in grid of temperatures, pressures, strains and or electric fields.

    Python

  2. pySCF pySCF Public

    A basic Python-based implementation of the closed-shell Hartree Fock SCF algorithm, supporting s-type orbitals only.

    Python

  3. ai4es23 ai4es23 Public

    Code submission for the AI4ES Datathon 2023 (task B)

    Jupyter Notebook

  4. ai4es22 ai4es22 Public

    Code submission for the AI4ES Datathon 2022 (task A)

    Jupyter Notebook