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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. TB_flash TB_flash Public

    Python 1

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

    Canonical Monte Carlo algorithm for ellipsoid-of-revolution molecules

    Fortran 1

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

    Canonical Monte Carlo algorithm for spherocylindrical molecules

    Fortran

Repositories

Showing 10 of 10 repositories
  • templates-overleaf Public

    Templates em LaTeX para dissertações e projetos FAPESP.

    LESC-Unicamp/templates-overleaf’s past year of commit activity
    0 0 0 0 Updated Nov 13, 2024
  • 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.

    LESC-Unicamp/Monte-Carlo-Mixtures-of-Ellipsoids-Spherocylinders-Cylinders’s past year of commit activity
    Fortran 2 GPL-3.0 1 0 0 Updated Nov 3, 2024
  • TB_flash Public
    LESC-Unicamp/TB_flash’s past year of commit activity
    Python 1 0 0 0 Updated Jul 30, 2024
  • LAMC Public Forked from rodolfoamancio/LAMC

    Linear Alkanes Monte Carlo (LAMC): implementation of the Configurational Bias Monte Carlo (CBMC) algorithm for the simulation of linear alkanes.

    LESC-Unicamp/LAMC’s past year of commit activity
    C 0 1 0 0 Updated Apr 21, 2024
  • Covid-GUI Public

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

    LESC-Unicamp/Covid-GUI’s past year of commit activity
    Python 0 0 0 0 Updated Oct 7, 2023
  • Molecular-Docking-plus-Machine-Learning Public

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

    LESC-Unicamp/Molecular-Docking-plus-Machine-Learning’s past year of commit activity
    Python 1 0 0 0 Updated Oct 7, 2023
  • Simulation-of-calcite-confined-systems Public

    This repository contains the necessary input files to reproduce simulations of calcite-confined systems

    LESC-Unicamp/Simulation-of-calcite-confined-systems’s past year of commit activity
    0 1 0 0 Updated May 24, 2022
  • Self-diffusion-coefficients-for-confined-fluids-in-a-slit-pore- Public
    LESC-Unicamp/Self-diffusion-coefficients-for-confined-fluids-in-a-slit-pore-’s past year of commit activity
    C 1 0 0 0 Updated May 18, 2022
  • TPT-coefficients-for-ellipsoidal-molecules Public

    Canonical Monte Carlo algorithm for ellipsoid-of-revolution molecules

    LESC-Unicamp/TPT-coefficients-for-ellipsoidal-molecules’s past year of commit activity
    Fortran 0 1 0 0 Updated Jan 23, 2022
  • TPT-coefficients-for-spherocylindrical-molecules Public

    Canonical Monte Carlo algorithm for spherocylindrical molecules

    LESC-Unicamp/TPT-coefficients-for-spherocylindrical-molecules’s past year of commit activity
    Fortran 0 0 0 0 Updated Jan 16, 2022

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