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  1. dftbplus dftbplus Public

    Forked from dftbplus/dftbplus

    DFTB+ general package for performing fast atomistic simulations

    Fortran 1

  2. gromacs gromacs Public

    Forked from gromacs/gromacs

    Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

    C++

  3. tinker-hp tinker-hp Public

    Forked from TinkerTools/tinker-hp

    Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs

    C++

  4. tinker tinker Public

    Forked from TinkerTools/tinker

    Tinker: Software Tools for Molecular Design

    Fortran

  5. DIALECT-rs DIALECT-rs Public

    Forked from dialect-rs/DIALECT-rs

    DIALECT program package

    Rust

  6. pyscf pyscf Public

    Forked from pyscf/pyscf

    Python module for quantum chemistry

    Python