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Quantum chemistry
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Quantum chemistry

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  1. Forked from teivah/algodeck

    Algo Deck is an Open-Source Collection of +200 Algorithmic Cards to Help you Preparing your Algorithm & Data Structure Interview

  2. Modifications to CP2K-6.1 to calculate electron coupling matrix element VAB

    Fortran 1

  3. vasp jobs builder for materials screening

    Python

  4. Molssi workshop on best practices - sample repository

    Python

  5. Forked from choderalab/software-development

    A primer on software development best practices for computational chemistry

  6. Forked from pavankum/cp2k-vab

    Feature additions to CP2K-6.1

    Fortran

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