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keceli (Murat Keçeli) · GitHub

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  1. argonne-lcf/ChemGraph argonne-lcf/ChemGraph Public

    Agentic framework for computational chemistry and materials science workflows

    Python 161 48

  2. QTC QTC Public

    Python modules for quantum thermochemistry calculations.

    Python 8 1

  3. Autonomous-Scientific-Agents/IQC Autonomous-Scientific-Agents/IQC Public

    Interactive Quantum Chemistry

    Python 6 1

  4. VALENCE VALENCE Public

    Forked from VALENCE-software/VALENCE

    quantum chemistry software

    Fortran 1

  5. argonne-lcf/drdoc argonne-lcf/drdoc Public

    Improve documentation files with large langugage models

    Python 3

  6. SLEPc-SIPs SLEPc-SIPs Public

    Shift-and-Invert Parallel spectral transformations eigensolver

    1

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