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  • University of Edinburgh

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Achievement: Arctic Code Vault ContributorAchievement: Starstruck

Achievements

Achievement: Arctic Code Vault ContributorAchievement: Starstruck

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@DiffusionMapsAcademics

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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 5 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++