Pinned Loading

1. CLIPS CLIPS Public

   Fast estimation of ion-pairing for screening electrolytes

   Shell 11

2. enhanced-sampling enhanced-sampling Public

   Enhanced sampling methods for MD

   Roff 8

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 3

4. PoissonSolver PoissonSolver Public

   3D Poisson Solver

   C++ 7

5. gau2psi4 gau2psi4 Public

   Calculation of single point energy on PSI4

   Python 2 1