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Achievement: Pull Sharkx2Achievement: QuickdrawAchievement: YOLO
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Pinned

  1. gromacs_ff gromacs_ff Public

    Forked from intbio/gromacs_ff

    Trusted force field files for gromacs

    Rich Text Format 1

  2. fep-benchmark fep-benchmark Public

    Forked from MCompChem/fep-benchmark

    Benchmark set for relative free energy calculations.

  3. orca-qm-docker orca-qm-docker Public

    Docker Image with Orca QM Engine

    Dockerfile

  4. portfolio portfolio Public

    Collection of my conference posters, slides and articles

  5. smiles smiles Public

    Forked from zmactep/smiles

    Full support of OpenSMILES specification for Haskell

    Haskell

  6. stat_mech_course stat_mech_course Public

    Code related to Coursera's Statistical Mechanics: Algorithms and Computations

    Jupyter Notebook