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31 followers · 5 following

Achievements

Achievement: YOLOAchievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

Achievements

Achievement: YOLOAchievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

Organizations

@psi4 @qrefine

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hokru/README.md

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  1. xopt xopt Public

    eXternal OPTimizer for quantum chemistry

    Fortran 10 3

  2. psi4 psi4 Public

    Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++

  3. cm5charges cm5charges Public

    computes CM5 charges from ORCA output

    Fortran 1 3

  4. struca struca Public

    geometric structure analysis

    Fortran 3

  5. fragmol fragmol Public

    automatic fragmentation of molecules

    Python 1

  6. geotrafo geotrafo Public

    geometric transformations of molecular structures

    Python 1 1