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  1. CLIPS CLIPS Public

    Fast estimation of ion-pairing for screening electrolytes

    Shell 12

  2. enhanced-sampling enhanced-sampling Public

    Enhanced sampling methods for MD

    Roff 9

  3. pucker-correction pucker-correction Public

    Classical force-field for peptides containing 4-fluorinated proline residues (or any canonical peptide). Includes a proline ring pucker correction

    Shell 4

  4. PoissonSolver PoissonSolver Public

    3D Poisson Solver

    C++ 8

  5. gau2psi4 gau2psi4 Public

    Calculation of single point energy on PSI4

    Python 2 1