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  1. thermomaps-gayberne thermomaps-gayberne Public

    Forked from lherron2/thermomaps-ising

    Codes for applying the Thermodynamic Maps method to study the isotropic-nematic phase transition in a system of Gay-Berne ellipsoids

    Jupyter Notebook 4

  2. FES_codes FES_codes Public

    Codes for pulling structures from free-energy surfaces

    Jupyter Notebook 2

  3. jacobian jacobian Public

    Codes for calculating the Jacobian for a nonlinear latent space and decomposing the free-energy along the one-dimensional latent space profiles

    Jupyter Notebook 2 1

  4. LE4PD-XYZ LE4PD-XYZ Public

    Codes and data for Journal of Chemical Physics article on the LE4PD-XYZ model.

    Jupyter Notebook 1 1

  5. af2-dynamics af2-dynamics Public

    Jupyter Notebook 1

  6. hello-world hello-world Public

    Introduction to GitHub