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LESC-Unicamp

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  1. Monte-Carlo-Mixtures-of-Ellipsoids-Spherocylinders-Cylinders Monte-Carlo-Mixtures-of-Ellipsoids-Spherocylinders-Cylinders Public

    This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.

    Fortran 2 1

  2. Self-diffusion-coefficients-for-confined-fluids-in-a-slit-pore- Self-diffusion-coefficients-for-confined-fluids-in-a-slit-pore- Public

    C 1

  3. Molecular-Docking-plus-Machine-Learning Molecular-Docking-plus-Machine-Learning Public

    Algorithm for sequential molecular docking analyses and machine learning procedure to interpret the results.

    Python 1

  4. TPT-coefficients-for-ellipsoidal-molecules TPT-coefficients-for-ellipsoidal-molecules Public

    Canonical Monte Carlo algorithm for ellipsoid-of-revolution molecules

    Fortran 1

  5. TPT-coefficients-for-spherocylindrical-molecules TPT-coefficients-for-spherocylindrical-molecules Public

    Canonical Monte Carlo algorithm for spherocylindrical molecules

    Fortran

  6. Covid-GUI Covid-GUI Public

    Graphical User Interface for fast identification of good SARS-CoV-2 inhibitors, based on the ligand structure.

    Python

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