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lipelopesoliveira/README.md

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  1. pyCOFBuilder pyCOFBuilder Public

    A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach

    Python 66 7

  2. flames flames Public

    A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE

    Python 22 5

  3. IBM/pymser IBM/pymser Public archive

    A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte Carlo adsorption simulations.

    Jupyter Notebook 30 2

  4. neumannrf/electronic-structure-experiment neumannrf/electronic-structure-experiment Public

    Uses the CP2K software package to run DFT simulations on nanoporous materials.

    Python 6

  5. abntex_iq abntex_iq Public

    Modelo ABNTeX para a utilização na UFRJ, mais especificamente na PGQu do IQ.

    TeX

  6. ForceFields ForceFields Public

    A repository to hold forcefields for molecular mechanics calculations with RASPA

    Makefile 20 5