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1. DiffusionMapsAcademics/pyDiffMap DiffusionMapsAcademics/pyDiffMap Public

   Library for diffusion maps

   Python 47 14

2. DFM DFM Public

   DFM is Python based code using diffusion-map directed sampling to explore the Boltzmann distribution. It uses Openmm for molecular dynamics simulation. Currently under development.

   Jupyter Notebook 1

3. GeneralizedDiffusionMap GeneralizedDiffusionMap Public

   MATLAB 6 1

4. MCMC_SanzSerna MCMC_SanzSerna Public

   Matlab code for Sanz-Serna's paper Markov Chain Monte Carlo and Numerical Differential Equations

   MATLAB

5. DimerSolvent DimerSolvent Public

   Molecular dynamics: simulation of dimer in solvent (3D) with highly accurate integrators for dynamics with general kinetic energies including ARPS.

   C++