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1. rna-mg-predictor rna-mg-predictor Public

   Prediction of magnesium binding sites in RNA molecules using GCMC/MD (Updated version: https://github.com/mackerell-lab/GCMC_PME)

   Shell 4 1

2. LigPrepper LigPrepper Public

   Prepare a 3D SDF file from SMILES for a ligand

   Python 2 2

3. DihedralScanner DihedralScanner Public

   to perform potential energy scan for a dihedral using charmm and psi4

   Shell 1

4. mdanalysis mdanalysis Public

   Forked from MDAnalysis/mdanalysis

   MDAnalysis is a Python library to analyze molecular dynamics trajectories.

   Python

5. aakognole.github.io aakognole.github.io Public

   HTML

6. toppar_drude toppar_drude Public

   Shell