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Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: YOLOAchievement: Quickdraw

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  1. deepmodeling/abacus-develop deepmodeling/abacus-develop Public

    Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 235 148

  2. Uni-Mol-XC Uni-Mol-XC Public

    Forked from BariumOxide13716/Uni-Mol-XC

    Local chemical environment based machine-learning enabled parameterization of eXchange-Correlation density functionals

    Python

  3. PyIdealLatt PyIdealLatt Public

    PyIdealLatt is a lightweight Python package for generating ideal crystal structures, specifically designed to support large-scale model training in condensed matter physics and materials science. W…

    Python

  4. DeePTB DeePTB Public

    Forked from deepmodeling/DeePTB

    DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

    Python