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  1. abacustools abacustools Public

    Python

  2. 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++ 296 255

  3. deepmodeling/ABACUS-agent-tools deepmodeling/ABACUS-agent-tools Public

    MCP tools to connect LLMs and ABACUS jobs

    Python 29 17

  4. pxlxingliang/abacus-test pxlxingliang/abacus-test Public

    do the performance test of ABACUS

    Python 29 6

  5. AnguseZhang/MatMaster AnguseZhang/MatMaster Public

    Python 20 23