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Achievement: StarstruckAchievement: QuickdrawAchievement: Pull SharkAchievement: Arctic Code Vault Contributor

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  1. GPWNO GPWNO Public

    Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the bases: Gaussian-type orbital and plane-wave.

    Jupyter Notebook 28 2

  2. QHFlow QHFlow Public

    🌟 [NeurIPS '25 Spotlight] Official implement of QHFlow for DFT Hamiltonian prediction

    Python 30 5

  3. QHFlow2 QHFlow2 Public

    Jupyter Notebook 14 1